Geometry & MOs

Info

ID:	272373
PubChem CID:	103740614
Reduced:	F2N4O4H8C11 (1)
Stoich.:	A2B4C4D8E11 (1)
Weight, g/mol:	302.05367
ΔH_f, kcal/mol:	-88.54
Dipole, Da:	5.86
IP(EA), eV:	-10.82(-2.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-3-nitro-N-(2-prop-2-enylsulfanylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CNC(=O)C2=C(C=CC(=C2F)[N+](=O)[O-])F

DOS

IR

Vibrations