Geometry & MOs

Info

ID:	374337
PubChem CID:	131327001
Reduced:	BrClSO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	345.91606
ΔH_f, kcal/mol:	-44.66
Dipole, Da:	3.55
IP(EA), eV:	-9.41(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-formyl-3-iodo-1-benzothiophene-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1)C(=C(S2)Br)C(=O)O)CCl

DOS

IR

Vibrations