Geometry & MOs

Info

ID:	360539
PubChem CID:	127301184
Reduced:	ClSN3O3C18H26 (1)
Stoich.:	ABC3D3E18F26 (1)
Weight, g/mol:	399.151824
ΔH_f, kcal/mol:	-119.48
Dipole, Da:	1.54
IP(EA), eV:	-8.78(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,4-dioxo-1,3-diazinan-1-yl)-N-[1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(S1)Cl)NC(=O)CCN2CCN(CC2)C(=O)C3CCCO3

DOS

IR

Vibrations