Geometry & MOs

Info

ID:	373704
PubChem CID:	131318999
Reduced:	SF2O2H8C11 (1)
Stoich.:	AB2C2D8E11 (1)
Weight, g/mol:	342.9164
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	4.14
IP(EA), eV:	-9.4(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-cyano-4-iodo-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CSC2=C(C(=C(C=C21)C(F)F)CO)C=O

DOS

IR

Vibrations