Geometry & MOs

Info

ID:	246668
PubChem CID:	103064562
Reduced:	NSO4C15H17 (1)
Stoich.:	ABC4D15E17 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-135.88
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NC2CCSC2)/C=C/C(=O)O

DOS

IR

Vibrations