Geometry & MOs

Info

ID:	151145
PubChem CID:	53790843
Reduced:	N2O3C38H40 (1)
Stoich.:	A2B3C38D40 (1)
Weight, g/mol:	287.061614
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	5.78
IP(EA), eV:	-8.7(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-methyl-4-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(CC2=C1)N(CC3=CC=CC=C3)C[C@@H](C4=C5C=CC(=O)NC5=C(C=C4)OCC6=CC=CC=C6)O)CC

DOS

IR

Vibrations