Geometry & MOs

Info

ID:	193647
PubChem CID:	78419017
Reduced:	SN3O5H13C14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	443.115107
ΔH_f, kcal/mol:	-122.16
Dipole, Da:	2.42
IP(EA), eV:	-10.32(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-4-oxo-3H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCC#N)S(=O)(=O)C1=CC2=C(C=C1)N=CC(C2=O)C(=O)O

DOS

IR

Vibrations