Geometry & MOs

Info

ID:	128530
PubChem CID:	51048874
Reduced:	ClSN2O3H15C19 (1)
Stoich.:	ABC2D3E15F19 (1)
Weight, g/mol:	424.059277
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	6.17
IP(EA), eV:	-8.82(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-[4-oxo-6-[(4-oxopiperidin-1-yl)methyl]pyran-3-yl]oxyacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CC(=O)NC3=C2SN=C3C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations