Geometry & MOs

Info

ID:	191769
PubChem CID:	78187168
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	644.227099
ΔH_f, kcal/mol:	-153.15
Dipole, Da:	6.8
IP(EA), eV:	-8.82(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4,7-dibenzyl-3-[(2,3-dioxo-1H-indol-5-yl)methyl]-5,6-dihydroxy-2-oxo-1,3-diazepan-1-yl]methyl]-1H-indole-2,3-dione

Drug info:

PubChemData

Smile

CCC1C(NC(=O)C(C1SC2=CC(=CC(=C2)C)C)C(=O)OCC)C

DOS

IR

Vibrations