Geometry & MOs

Info

ID:	176497
PubChem CID:	76060295
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	658.169978
ΔH_f, kcal/mol:	-50.87
Dipole, Da:	3.65
IP(EA), eV:	-9.06(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,4-dibenzoyloxy-5-(3-cyano-7-nitro-3H-1,5-benzodiazepin-2-yl)oxolan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC(C)CC(C=O)NC(=O)C1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations