Geometry & MOs

Info

ID:	68047
PubChem CID:	46507660
Reduced:	SN3O5H17C18 (1)
Stoich.:	AB3C5D17E18 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-147.41
Dipole, Da:	4.78
IP(EA), eV:	-9.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chlorophenyl)methyl]-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC2=NS(=O)(=O)C3=CC=CC=C3N2

DOS

IR

Vibrations