Geometry & MOs

Info

ID:	249517
PubChem CID:	103090178
Reduced:	S2O3C9H16 (1)
Stoich.:	A2B3C9D16 (1)
Weight, g/mol:	190.066365
ΔH_f, kcal/mol:	-139.98
Dipole, Da:	6.28
IP(EA), eV:	-8.8(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylsulfanyl-4-oxoheptanoic acid

Drug info:

PubChemData

Smile

CSCCCC(=O)C1CCS(=O)(=O)C1

DOS

IR

Vibrations