Geometry & MOs

Info

ID:	414401
PubChem CID:	135087359
Reduced:	SF2N2O5C15H20 (1)
Stoich.:	AB2C2D5E15F20 (1)
Weight, g/mol:	338.135446
ΔH_f, kcal/mol:	-271.35
Dipole, Da:	8.11
IP(EA), eV:	-9.17(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-4-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC(=C(C(=C2)F)OC)F

DOS

IR

Vibrations