Geometry & MOs

Info

ID:	246670
PubChem CID:	103064573
Reduced:	NS2O4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	331.034828
ΔH_f, kcal/mol:	-137.59
Dipole, Da:	5.55
IP(EA), eV:	-8.83(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations