Geometry & MOs

Info

ID:	272342
PubChem CID:	103740008
Reduced:	SF2N2O3H10C13 (1)
Stoich.:	AB2C2D3E10F13 (1)
Weight, g/mol:	322.043499
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	4.66
IP(EA), eV:	-9.26(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-(3-methylsulfonylpropyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)CCNC(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations