Geometry & MOs

Info

ID:	352269
PubChem CID:	127283353
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	362.104876
ΔH_f, kcal/mol:	-101.09
Dipole, Da:	5.77
IP(EA), eV:	-8.98(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NC2=CC=CC(=C2O1)C(=O)N3CCCC3C(=O)NC4=NC=CS4

DOS

IR

Vibrations