Geometry & MOs

Info

ID:	48362
PubChem CID:	10539198
Reduced:	NSO5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	-196.72
Dipole, Da:	5.57
IP(EA), eV:	-9.34(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-hydroxy-1-(3-methylphenyl)-4-propanoyl-2,3-dihydropyridin-6-one

Drug info:

PubChemData

Smile

C1=C(OC=C1C(=O)N)[C@H]2[C@@H]([C@@H]([C@H](S2)CO)O)O

DOS

IR

Vibrations