Geometry & MOs

Info

ID:	764
PubChem CID:	3328
Reduced:	SO2C17H28 (1)
Stoich.:	AB2C17D28 (1)
Weight, g/mol:	296.181001
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	3.07
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,7,11-trimethyldodeca-2,6,10-trienylsulfanyl)acetic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCSCC(=O)O)C)C)C

DOS

IR

Vibrations