Geometry & MOs

Info

ID:	372797
PubChem CID:	131304967
Reduced:	NOSF3H4C10 (1)
Stoich.:	ABCD3E4F10 (1)
Weight, g/mol:	333.95245
ΔH_f, kcal/mol:	-132.14
Dipole, Da:	2.26
IP(EA), eV:	-9.2(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-6-iodo-5-methoxy-1-benzothiophene

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C(F)(F)F)SC(=C2O)C#N

DOS

IR

Vibrations