Geometry & MOs

Info

ID:	372208
PubChem CID:	131294371
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	1.83
IP(EA), eV:	-8.81(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(hydroxymethyl)-3-iodo-1-benzothiophene-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=C2C(=C1)C=CS2)O)I

DOS

IR

Vibrations