Geometry & MOs

Info

ID:	312804
PubChem CID:	126608826
Reduced:	SO3N5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	407.130363
ΔH_f, kcal/mol:	-86.14
Dipole, Da:	8.73
IP(EA), eV:	-8.38(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[4-methylsulfonyl-1-(pyridin-3-ylmethyl)indol-2-yl]pyridin-2-one

Drug info:

PubChemData

Smile

CCCCN1C(=NC2=C(N=C(C=C21)C3=CN(C(=O)C(=C3)C)C)NS(=O)(=O)C)C

DOS

IR

Vibrations