Geometry & MOs

Info

ID:	188533
PubChem CID:	77729179
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	406.201634
ΔH_f, kcal/mol:	-85.68
Dipole, Da:	6.37
IP(EA), eV:	-9.09(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-[2-(4-oxopiperidin-1-yl)propyl]-1,3-diazinane-4-carboxamide

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2N(C1)S(=O)(=O)C3CCNNC3=O

DOS

IR

Vibrations