Geometry & MOs

Info

ID:	422322
PubChem CID:	135117638
Reduced:	FN2S2O5C14H21 (1)
Stoich.:	AB2C2D5E14F21 (1)
Weight, g/mol:	395.220892
ΔH_f, kcal/mol:	-235.25
Dipole, Da:	8.64
IP(EA), eV:	-9.5(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butanamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NS(=O)(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations