Geometry & MOs

Info

ID:	135254
PubChem CID:	51842137
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	357.088019
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	7.96
IP(EA), eV:	-9.18(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)[C@@H](C1=CC=C(C=C1)C)N(CC2=CC=C(O2)C)C(=O)C(=C)C

DOS

IR

Vibrations