Geometry & MOs

Info

ID:	298688
PubChem CID:	117653933
Reduced:	SO4C6H10 (1)
Stoich.:	AB4C6D10 (1)
Weight, g/mol:	219.092915
ΔH_f, kcal/mol:	-181.82
Dipole, Da:	4.9
IP(EA), eV:	-10.21(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-carbamoyl-2-ethyl-6-sulfanylhexanoic acid

Drug info:

PubChemData

Smile

CCC(CS)(C(=O)O)C(=O)O

DOS

IR

Vibrations