Geometry & MOs

Info

ID:	403466
PubChem CID:	135060460
Reduced:	SO2N3H27C32 (1)
Stoich.:	AB2C3D27E32 (1)
Weight, g/mol:	545.177313
ΔH_f, kcal/mol:	79.31
Dipole, Da:	7.62
IP(EA), eV:	-8.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-3-benzyl-4-phenylpyrido[4,3-b]indol-2-ium-2-yl)-(4-methylphenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=C(C(=C3C(=C2)C4=CC=CC=C4N3C)C5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations