Geometry & MOs

Info

ID:	420964
PubChem CID:	135115129
Reduced:	SF2N2O5C15H20 (1)
Stoich.:	AB2C2D5E15F20 (1)
Weight, g/mol:	323.163377
ΔH_f, kcal/mol:	-283.76
Dipole, Da:	5.88
IP(EA), eV:	-9.8(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations