Geometry & MOs

Info

ID:	472
PubChem CID:	2809
Reduced:	ClN2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	314.04582
ΔH_f, kcal/mol:	-58.1
Dipole, Da:	7.84
IP(EA), eV:	-9.71(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations