Geometry & MOs

Info

ID:	307369
PubChem CID:	125299693
Reduced:	O4C25H36 (1)
Stoich.:	A4B25C36 (1)
Weight, g/mol:	534.226705
ΔH_f, kcal/mol:	-192.72
Dipole, Da:	4.65
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[(9S,10R,15S)-10-(3-methoxyphenyl)-12,14-dioxo-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,5,7-tetraen-13-yl]benzamide

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

CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C=C2[C@@H]1[C@H]([C@H](C=C2)C)CC[C@H]3CC=CC(=O)O3)C

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

CCC(C)(C)C(=O)O[C@@H]1C[C@@H](C=C2[C@@H]1[C@H]([C@H](C=C2)C)CC[C@H]3CC=CC(=O)O3)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):