Geometry & MOs

Info

ID:	403462
PubChem CID:	135060431
Reduced:	ClN3H14C18 (1)
Stoich.:	AB3C14D18 (1)
Weight, g/mol:	517.182398
ΔH_f, kcal/mol:	75.2
Dipole, Da:	2.5
IP(EA), eV:	-8.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzyl-7-methyl-4-phenylpyrido[4,3-b]indol-2-yl)-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(C=CN=C3N2)NCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations