Geometry & MOs

Info

ID:	165899
PubChem CID:	74610856
Reduced:	FSN4O4C21H29 (1)
Stoich.:	ABC4D4E21F29 (1)
Weight, g/mol:	365.157326
ΔH_f, kcal/mol:	-225.09
Dipole, Da:	4.02
IP(EA), eV:	-8.94(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-fluorophenyl)methylsulfanyl]-6-(2-oxo-2-piperidin-1-ylethyl)-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)CC2CC(=O)NC(N2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations