Geometry & MOs

Info

ID:	183073
PubChem CID:	76975144
Reduced:	SO2C9H16 (1)
Stoich.:	AB2C9D16 (1)
Weight, g/mol:	160.055801
ΔH_f, kcal/mol:	-107.26
Dipole, Da:	4.56
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-3-methylbut-2-enoic acid

Drug info:

PubChemData

Smile

CCC(C)SCC(=CC(=O)O)C

DOS

IR

Vibrations