Geometry & MOs

Info

ID:	421966
PubChem CID:	135116926
Reduced:	SF2N2O4C14H18 (1)
Stoich.:	AB2C2D4E14F18 (1)
Weight, g/mol:	349.179027
ΔH_f, kcal/mol:	-234.27
Dipole, Da:	7.68
IP(EA), eV:	-9.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations