Geometry & MOs

Info

ID:	295043
PubChem CID:	117512626
Reduced:	NSF2O6H9C12 (1)
Stoich.:	ABC2D6E9F12 (1)
Weight, g/mol:	333.025326
ΔH_f, kcal/mol:	-237.85
Dipole, Da:	4.19
IP(EA), eV:	-9.83(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-4,5-bis(methylsulfonyl)phenyl]-1H-pyrazol-5-amine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C2=CC(=NO2)C(=O)O)F)S(=O)(=O)C)F

DOS

IR

Vibrations