Geometry & MOs

Info

ID:	277442
PubChem CID:	103828558
Reduced:	F2N2O3C13H16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	276.074405
ΔH_f, kcal/mol:	-141.9
Dipole, Da:	9.7
IP(EA), eV:	-9.08(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-(3-methylsulfanylbutyl)-4-nitroaniline

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC2=C(C=C(C=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations