Geometry & MOs

Info

ID:	396905
PubChem CID:	135029411
Reduced:	NSO2F3C11H12 (1)
Stoich.:	ABC2D3E11F12 (1)
Weight, g/mol:	464.07495
ΔH_f, kcal/mol:	-201.37
Dipole, Da:	4.35
IP(EA), eV:	-10.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-iodo-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pyrazole

Drug info:

PubChemData

Smile

C[C@H]1[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)C(F)(F)F

DOS

IR

Vibrations