Geometry & MOs

Info

ID:	52707
PubChem CID:	12015739
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	499.13795
ΔH_f, kcal/mol:	-140.49
Dipole, Da:	5.65
IP(EA), eV:	-9.39(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(19S)-19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl] 3-(2,5-dioxopyrrol-1-yl)propanoate

Drug info:

PubChemData

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[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)C1=CC2=CC=CC=C2N=C1)O)C(=O)NC

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[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)C1=CC2=CC=CC=C2N=C1)O)C(=O)NC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):