Geometry & MOs

Info

ID:	373295
PubChem CID:	131312889
Reduced:	ClSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	254.016829
ΔH_f, kcal/mol:	-65.03
Dipole, Da:	5.86
IP(EA), eV:	-8.96(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(chloromethyl)-5-methyl-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC2=C1C=C(C(=C2)C(=O)O)CCl

DOS

IR

Vibrations