Geometry & MOs

Info

ID:	68097
PubChem CID:	46507747
Reduced:	OSN4H12C14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	54.25
Dipole, Da:	5.36
IP(EA), eV:	-8.73(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2=CN3C(=NNC3=S)C=C2

DOS

IR

Vibrations