Geometry & MOs

Info

ID:	20631
PubChem CID:	584927
Reduced:	OSC5H5 (2)
Stoich.:	ABC5D5 (2)
Weight, g/mol:	226.012222
ΔH_f, kcal/mol:	-41.66
Dipole, Da:	2.95
IP(EA), eV:	-9.21(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylbenzenecarbothioyl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=S)SCC(=O)O

DOS

IR

Vibrations