Geometry & MOs

Info

ID:	375103
PubChem CID:	131465962
Reduced:	ISO3H7C10 (1)
Stoich.:	ABC3D7E10 (1)
Weight, g/mol:	347.93171
ΔH_f, kcal/mol:	-63.61
Dipole, Da:	6.04
IP(EA), eV:	-9.16(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-iodo-3-methoxy-1-benzothiophene-7-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C(=CS2)I)C(=O)O

DOS

IR

Vibrations