Geometry & MOs

Info

ID:	313625
PubChem CID:	126616731
Reduced:	ClSF3N4O4H18C20 (1)
Stoich.:	ABC3D4E4F18G20 (1)
Weight, g/mol:	279.009849
ΔH_f, kcal/mol:	-179.74
Dipole, Da:	5.75
IP(EA), eV:	-9.47(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(3-fluoro-4-nitrophenyl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C(C=CC(=C2)C(C#N)C3=CC=C(C=C3)Cl)[N+](=O)[O-])S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations