Geometry & MOs

Info

ID:	277411
PubChem CID:	103828360
Reduced:	F2N3O3C10H11 (1)
Stoich.:	A2B3C3D10E11 (1)
Weight, g/mol:	248.043105
ΔH_f, kcal/mol:	-122.14
Dipole, Da:	8.76
IP(EA), eV:	-9.28(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCCNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations