Geometry & MOs

Info

ID:	372845
PubChem CID:	131305874
Reduced:	SO3H10C12 (1)
Stoich.:	AB3C10D12 (1)
Weight, g/mol:	234.035065
ΔH_f, kcal/mol:	-78.34
Dipole, Da:	4.53
IP(EA), eV:	-8.7(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-formyl-3-methyl-1-benzothiophene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1C(=O)OC)C=O)SC=C2

DOS

IR

Vibrations