Geometry & MOs

Info

ID:	403471
PubChem CID:	135060467
Reduced:	SO2N3C29H29 (1)
Stoich.:	AB2C3D29E29 (1)
Weight, g/mol:	359.109233
ΔH_f, kcal/mol:	41.82
Dipole, Da:	12.11
IP(EA), eV:	-8.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-5-methyl-4-methylsulfanylpyrido[3,2-b]indole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NN2C=C3C4=CC=CC=C4N=C3C(=C2CC(C)(C)C)C5=CC=CC=C5

DOS

IR

Vibrations