Geometry & MOs

Info

ID:	26062
PubChem CID:	637553
Reduced:	OC7H12 (1)
Stoich.:	AB7C12 (1)
Weight, g/mol:	169.986007
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	3.42
IP(EA), eV:	-9.74(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-sulfanylbenzenecarbothioic S-acid

Drug info:

PubChemData

Smile

C[C@@H]1CCCCC1=O

DOS

IR

Vibrations