Geometry & MOs

Info

ID:	183234
PubChem CID:	76995507
Reduced:	NSO5C14H17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	284.038627
ΔH_f, kcal/mol:	-171.12
Dipole, Da:	5.07
IP(EA), eV:	-10.06(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(5-chlorothiophen-2-yl)prop-2-enoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

C1CC(COC1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)O

DOS

IR

Vibrations