Geometry & MOs

Info

ID:	403465
PubChem CID:	135060459
Reduced:	SN3O4H27C33 (1)
Stoich.:	AB3C4D27E33 (1)
Weight, g/mol:	517.182398
ΔH_f, kcal/mol:	0.76
Dipole, Da:	13.55
IP(EA), eV:	-8.26(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzyl-5-methyl-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)NN2C=C3C4=C(C=C(C=C4)C(=O)OC)N=C3C(=C2CC5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations