Geometry & MOs

Info

ID:	161154
PubChem CID:	57390906
Reduced:	OSCl2N7C15H19 (1)
Stoich.:	ABC2D7E15F19 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-1.38
Dipole, Da:	2.81
IP(EA), eV:	-8.44(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-1-(2-oxoethyl)-5-phenyl-3H-1,4-benzodiazepin-3-yl]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSCCNC2=NC(=C(N=C2Cl)C(=O)N=C(N)N)N.Cl

DOS

IR

Vibrations