Geometry & MOs

Info

ID:	373280
PubChem CID:	131312650
Reduced:	ClSO3H7C11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	253.980443
ΔH_f, kcal/mol:	-72.1
Dipole, Da:	4.96
IP(EA), eV:	-9.2(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-chloro-5-formyl-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C2C=CSC2=C(C=C1C=O)Cl

DOS

IR

Vibrations