Geometry & MOs

Info

ID:	246669
PubChem CID:	103064565
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	327.0599
ΔH_f, kcal/mol:	-105.2
Dipole, Da:	5.38
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-methyl-3-(thiolan-3-ylsulfamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)O)C(=O)NC2CCSC2

DOS

IR

Vibrations