Geometry & MOs

Info

ID:	419068
PubChem CID:	135107419
Reduced:	FSN2O4C15H21 (1)
Stoich.:	ABC2D4E15F21 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-202.7
Dipole, Da:	5.15
IP(EA), eV:	-9.72(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)C(=O)N[C@@H]2COC[C@H]2CS(=O)(=O)N(C)C

DOS

IR

Vibrations