Geometry & MOs

Info

ID:	403467
PubChem CID:	135060461
Reduced:	SN3O3H27C33 (1)
Stoich.:	AB3C3D27E33 (1)
Weight, g/mol:	517.182398
ΔH_f, kcal/mol:	39.85
Dipole, Da:	4.59
IP(EA), eV:	-8.56(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-1-methyl-4-phenylpyrido[4,3-b]indol-2-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations