Geometry & MOs

Info

ID:	272380
PubChem CID:	103740658
Reduced:	SF2N3O3H9C12 (1)
Stoich.:	AB2C3D3E9F12 (1)
Weight, g/mol:	256.065949
ΔH_f, kcal/mol:	-83.36
Dipole, Da:	5.63
IP(EA), eV:	-9.54(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-2,6-difluoro-3-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations