Geometry & MOs

Info

ID:	277458
PubChem CID:	103828688
Reduced:	F2N2O3C11H14 (1)
Stoich.:	A2B2C3D11E14 (1)
Weight, g/mol:	276.074405
ΔH_f, kcal/mol:	-133.16
Dipole, Da:	6.81
IP(EA), eV:	-9.24(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-(2-methyl-2-methylsulfanylpropyl)-4-nitroaniline

Drug info:

PubChemData

Smile

CC(CCO)CNC1=C(C=C(C=C1F)[N+](=O)[O-])F

DOS

IR

Vibrations