Geometry & MOs

Info

ID:	277454
PubChem CID:	103828640
Reduced:	SF2O2N3H9C11 (1)
Stoich.:	AB2C2D3E9F11 (1)
Weight, g/mol:	271.076848
ΔH_f, kcal/mol:	-35.38
Dipole, Da:	8.28
IP(EA), eV:	-9.22(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,6-difluoro-4-nitroanilino)-1-methylpyrrolidin-2-one

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1F)NCCC2=CSC=N2)F)[N+](=O)[O-]

DOS

IR

Vibrations