Geometry & MOs

Info

ID:	67502
PubChem CID:	46506593
Reduced:	ClSN2O2H11C17 (1)
Stoich.:	ABC2D2E11F17 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	7.8
Dipole, Da:	6.14
IP(EA), eV:	-9.05(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(4-propan-2-ylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CN2C(=O)C3=C(C4=CC=CC=C4O3)NC2=S)Cl

DOS

IR

Vibrations