Geometry & MOs

Info

ID:	392810
PubChem CID:	135018030
Reduced:	BrSN3O4H22C25 (1)
Stoich.:	ABC3D4E22F25 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-91.39
Dipole, Da:	5.18
IP(EA), eV:	-8.72(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-11-(4-methylphenyl)sulfonylbenzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)N(C)C3=C(C4=C(C=C3)N(C(=O)C=C4)C)Br

DOS

IR

Vibrations