Geometry & MOs

Info

ID:	246666
PubChem CID:	103064555
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	295.067843
ΔH_f, kcal/mol:	-33.22
Dipole, Da:	5.01
IP(EA), eV:	-8.64(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)NC(=O)NC2CCSC2)NC

DOS

IR

Vibrations