Geometry & MOs

Info

ID:	1189
PubChem CID:	3958
Reduced:	Cl2N2O2H10C15 (1)
Stoich.:	A2B2C2D10E15 (1)
Weight, g/mol:	320.011933
ΔH_f, kcal/mol:	-28.08
Dipole, Da:	4.17
IP(EA), eV:	-9.44(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations