Geometry & MOs

Info

ID:	155354
PubChem CID:	56352945
Reduced:	OSN4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	37.3
Dipole, Da:	5.81
IP(EA), eV:	-8.6(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1H-indol-3-yl)-1-oxo-1-[3-(pyridin-2-ylsulfanylmethyl)anilino]propan-2-yl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=NN1)C(=O)NC2=CC=CC(=C2)CSC3=CC=CC=N3

DOS

IR

Vibrations