Geometry & MOs

Info

ID:	25386
PubChem CID:	623916
Reduced:	PSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	304.017018
ΔH_f, kcal/mol:	-91.03
Dipole, Da:	2.62
IP(EA), eV:	-8.59(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=C(P2(=O)O)C=CC(=C3)C

DOS

IR

Vibrations