Geometry & MOs

Info

ID:	373296
PubChem CID:	131312894
Reduced:	ClSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	254.016829
ΔH_f, kcal/mol:	-67.71
Dipole, Da:	2.1
IP(EA), eV:	-8.93(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(chloromethyl)-5-methyl-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC(=C2C(=O)OC)CCl

DOS

IR

Vibrations