Geometry & MOs

Info

ID:	204825
PubChem CID:	80014343
Reduced:	FNSO3H14C15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	420.00046
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	8.15
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-ethyl-2-(sulfanylmethyl)butoxy]-3-iodo-5-nitrobenzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(COC2=CC(=C(C=C2)[N+](=O)[O-])F)CS

DOS

IR

Vibrations