Geometry & MOs

Info

ID:	25600
PubChem CID:	627046
Reduced:	NSO3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	384.12407
ΔH_f, kcal/mol:	26.83
Dipole, Da:	5.81
IP(EA), eV:	-8.86(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-chloro-2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) propanoate

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations