Geometry & MOs

Info

ID:	149866
PubChem CID:	53789545
Reduced:	SCl2N2H20C22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	146.040151
ΔH_f, kcal/mol:	66.8
Dipole, Da:	3.36
IP(EA), eV:	-8.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylthiolane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCN1C2=C(CSCC2=CC3=CC=C(C=C3)Cl)C(=N1)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations