Geometry & MOs

Info

ID:	146955
PubChem CID:	53776774
Reduced:	O3C14H26 (1)
Stoich.:	A3B14C26 (1)
Weight, g/mol:	271.0667
ΔH_f, kcal/mol:	-179.45
Dipole, Da:	1.15
IP(EA), eV:	-10.24(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(4-pyridin-4-ylsulfanylphenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCCCCC(=O)C(CC)C(=O)OCC

DOS

IR

Vibrations