Geometry & MOs

Info

ID:	244840
PubChem CID:	99431437
Reduced:	SO2F3N3C23H24 (1)
Stoich.:	AB2C3D3E23F24 (1)
Weight, g/mol:	391.114376
ΔH_f, kcal/mol:	-188.33
Dipole, Da:	4.98
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-pyridin-3-yl-N-[(3R)-4,4,4-trifluoro-3-hydroxy-3-phenylbutyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)C(=O)NCC[C@@](C4=CC=CC=C4)(C(F)(F)F)O

DOS

IR

Vibrations