Geometry & MOs

Info

ID:	280089
PubChem CID:	103846776
Reduced:	NSO2F3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	367.96916
ΔH_f, kcal/mol:	-214.96
Dipole, Da:	2.2
IP(EA), eV:	-8.54(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-iodo-N-(2-methylsulfinylpropyl)-4-nitroaniline

Drug info:

PubChemData

Smile

CC(CNCC1=CC(=CC=C1)OC(F)(F)F)S(=O)C

DOS

IR

Vibrations