Geometry & MOs

Info

ID:	360559
PubChem CID:	127301204
Reduced:	SF3N3O3C14H16 (1)
Stoich.:	AB3C3D3E14F16 (1)
Weight, g/mol:	355.150761
ΔH_f, kcal/mol:	-246.29
Dipole, Da:	10.7
IP(EA), eV:	-9.61(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC(N(C1)CC2=NS(=O)(=O)C3=CC=CC=C3N2)C(C(F)(F)F)O

DOS

IR

Vibrations