Geometry & MOs

Info

ID:	28820
PubChem CID:	829831
Reduced:	NO3C5H5 (2)
Stoich.:	AB3C5D5 (2)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	-224.04
Dipole, Da:	4.7
IP(EA), eV:	-10.16(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylpiperazin-1-yl)sulfonyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

C1=C(C=NC=C1O)C(=O)N[C@@H](CC(=O)O)C(=O)O

DOS

IR

Vibrations