Geometry & MOs

Info

ID:	13178
PubChem CID:	222481
Reduced:	SO2C8H16 (1)
Stoich.:	AB2C8D16 (1)
Weight, g/mol:	176.087101
ΔH_f, kcal/mol:	-122.21
Dipole, Da:	3.87
IP(EA), eV:	-8.83(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylbutan-2-ylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C)SCCC(=O)O

DOS

IR

Vibrations