Geometry & MOs

Info

ID:	53100
PubChem CID:	14709572
Reduced:	SO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	176.032957
ΔH_f, kcal/mol:	-161.34
Dipole, Da:	3.76
IP(EA), eV:	-8.99(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-hydroxy-4-methylpent-4-enedithioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations