Geometry & MOs

Info

ID:	383479
PubChem CID:	134975221
Reduced:	O4N6H14C21 (1)
Stoich.:	A4B6C14D21 (1)
Weight, g/mol:	420.114378
ΔH_f, kcal/mol:	178.83
Dipole, Da:	8.93
IP(EA), eV:	-10.48(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(4-methylphenyl)sulfonyl-5H-2,3-benzodiazepine-1,4-dione

Drug info:

PubChemData

Smile

C1C2C3COC(C1(C4C(C2(C#N)C#N)C5COC(C4=C(C#N)C#N)O5)C(C#N)C#N)O3

DOS

IR

Vibrations