Geometry & MOs

Info

ID:	200463
PubChem CID:	79391359
Reduced:	SO2C9H18 (1)
Stoich.:	AB2C9D18 (1)
Weight, g/mol:	176.087101
ΔH_f, kcal/mol:	-124.58
Dipole, Da:	0.96
IP(EA), eV:	-8.69(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-propan-2-ylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)SC(C)C(C)C(=O)OC

DOS

IR

Vibrations