Geometry & MOs

Info

ID:	403330
PubChem CID:	135059761
Reduced:	ClN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	531.198048
ΔH_f, kcal/mol:	30.54
Dipole, Da:	3.66
IP(EA), eV:	-9.64(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC=C(C=C1)Cl)/CC(C#N)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations