Geometry & MOs

Info

ID:	345207
PubChem CID:	127268967
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	354.172562
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	2.65
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-acetylpiperidin-4-yl)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)N(CCO2)C(=O)CSCC3=CC(=NO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations