Geometry & MOs

Info

ID:	243961
PubChem CID:	99303038
Reduced:	SN2O4C24H30 (1)
Stoich.:	AB2C4D24E30 (1)
Weight, g/mol:	421.183541
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	8.36
IP(EA), eV:	-8.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[(3R,6R)-6-[(2-fluorophenyl)methyl]-5-oxothiomorpholine-3-carbonyl]-N-propylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N(C)C(C3CC3)C4CC4)OC

DOS

IR

Vibrations