Geometry & MOs

Info

ID:	344314
PubChem CID:	127267490
Reduced:	SF2N4O4C12H12 (1)
Stoich.:	AB2C4D4E12F12 (1)
Weight, g/mol:	322.089975
ΔH_f, kcal/mol:	-188.53
Dipole, Da:	5.6
IP(EA), eV:	-9.9(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyano-2-fluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=NNC(=N2)C(F)F

DOS

IR

Vibrations