Geometry & MOs

Info

ID:	417787
PubChem CID:	135102766
Reduced:	SN4O5C16H20 (1)
Stoich.:	AB4C5D16E20 (1)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-164.39
Dipole, Da:	7.14
IP(EA), eV:	-9.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3

DOS

IR

Vibrations