Geometry & MOs

Info

ID:	68200
PubChem CID:	46507955
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	429.183461
ΔH_f, kcal/mol:	-38.93
Dipole, Da:	8.65
IP(EA), eV:	-8.56(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CCNC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations