Geometry & MOs

Info

ID:	246667
PubChem CID:	103064560
Reduced:	FNSO3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	307.087829
ΔH_f, kcal/mol:	-140.33
Dipole, Da:	2.84
IP(EA), eV:	-8.79(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2-methoxy-5-(thiolan-3-ylcarbamoyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

C1CSCC1NC(=O)C2=C(C=C(C=C2)/C=C/C(=O)O)F

DOS

IR

Vibrations