Geometry & MOs

Info

ID:	216556
PubChem CID:	85086416
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	280.149701
ΔH_f, kcal/mol:	-170.16
Dipole, Da:	0.8
IP(EA), eV:	-10.13(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-phenylsulfanylnonanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C=C(C1CCCCC1)C2(CCCCC2)O

DOS

IR

Vibrations