Geometry & MOs

Info

ID:	242598
PubChem CID:	97857564
Reduced:	SO2F3N3C14H16 (1)
Stoich.:	AB2C3D3E14F16 (1)
Weight, g/mol:	347.091532
ΔH_f, kcal/mol:	-181.81
Dipole, Da:	7.04
IP(EA), eV:	-8.85(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)C)NC2=NN(C=C2)CC(F)(F)F

DOS

IR

Vibrations