Geometry & MOs

Info

ID:	309967
PubChem CID:	126571387
Reduced:	ClSO3N4C19H23 (1)
Stoich.:	ABC3D4E19F23 (1)
Weight, g/mol:	1160.46149
ΔH_f, kcal/mol:	-47.05
Dipole, Da:	4.81
IP(EA), eV:	-9.31(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoate

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CN(C2)S(=N)(=O)C3=CC=CC4=CN=CC(=C43)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CN(C2)S(=N)(=O)C3=CC=CC4=CN=CC(=C43)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):