Geometry & MOs

Info

ID:	143579
PubChem CID:	53229681
Reduced:	SN2O4C14H14 (1)
Stoich.:	AB2C4D14E14 (1)
Weight, g/mol:	304.088164
ΔH_f, kcal/mol:	-98.05
Dipole, Da:	8.06
IP(EA), eV:	-9.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=C(C=C1)C2=C(C=NC=C2)C(=O)O

DOS

IR

Vibrations