Geometry & MOs

Info

ID:	280090
PubChem CID:	103846785
Reduced:	ISN2O3C10H13 (1)
Stoich.:	ABC2D3E10F13 (1)
Weight, g/mol:	278.05367
ΔH_f, kcal/mol:	3.1
Dipole, Da:	5.64
IP(EA), eV:	-9.04(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-(2-methylsulfinylpropyl)-4-nitroaniline

Drug info:

PubChemData

Smile

CC(CNC1=CC(=C(C=C1)[N+](=O)[O-])I)S(=O)C

DOS

IR

Vibrations