Geometry & MOs

Info

ID:	415930
PubChem CID:	135088932
Reduced:	ClNSO5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	367.16444
ΔH_f, kcal/mol:	-184.33
Dipole, Da:	7.12
IP(EA), eV:	-9.97(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C[C@]([C@@H]1O)(CC2CC2)C(=O)O)S(=O)(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations