Geometry & MOs

Info

ID:	68043
PubChem CID:	46507650
Reduced:	N2O5H20C24 (1)
Stoich.:	A2B5C20D24 (1)
Weight, g/mol:	353.119798
ΔH_f, kcal/mol:	-108.85
Dipole, Da:	2.13
IP(EA), eV:	-8.33(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbothioamide

Drug info:

PubChemData

Smile

CC1=NC=C(C2=C1OC(=O)C(=C2)C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)CO

DOS

IR

Vibrations