Geometry & MOs

Info

ID:	373276
PubChem CID:	131312592
Reduced:	ClISO2H6C10 (1)
Stoich.:	ABCD2E6F10 (1)
Weight, g/mol:	365.89783
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	6.02
IP(EA), eV:	-9.32(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(chloromethyl)-3-iodo-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)I)C(=C(S2)C(=O)O)CCl

DOS

IR

Vibrations