Geometry & MOs

Info

ID:	42936
PubChem CID:	10317251
Reduced:	ClOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	373.038482
ΔH_f, kcal/mol:	7.29
Dipole, Da:	3.92
IP(EA), eV:	-8.39(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[7-chloro-5-(2-chlorophenyl)-3-hydroxy-2-oxo-3H-1,4-benzodiazepin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)CN3CCN(CC3)C4=CC=C(C=C4)Cl)SC1=O

DOS

IR

Vibrations