Geometry & MOs

Info

ID:	67490
PubChem CID:	46506570
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	339.104148
ΔH_f, kcal/mol:	-64.59
Dipole, Da:	4.29
IP(EA), eV:	-8.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=NC3=CC(=CC(=C3)OC)OC)C(=C2)C(=S)N)CO

DOS

IR

Vibrations