Geometry & MOs

Info

ID:	374886
PubChem CID:	131349651
Reduced:	O2F3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	343.91165
ΔH_f, kcal/mol:	-222.23
Dipole, Da:	1.75
IP(EA), eV:	-9.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-iodo-2-nitro-1-benzothiophen-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC(F)F)O)F

DOS

IR

Vibrations