Geometry & MOs

Info

ID:	68040
PubChem CID:	46507645
Reduced:	ClN2O5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	250.041213
ΔH_f, kcal/mol:	-144.82
Dipole, Da:	3.95
IP(EA), eV:	-8.63(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)OC)CO

DOS

IR

Vibrations