Geometry & MOs

Info

ID:	398548
PubChem CID:	135033809
Reduced:	NO5C19H19 (1)
Stoich.:	AB5C19D19 (1)
Weight, g/mol:	253.023121
ΔH_f, kcal/mol:	-154.87
Dipole, Da:	5.04
IP(EA), eV:	-8.65(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1,6-dimethyl-3-thiophen-2-ylsulfanylpyridin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1O)[C@]23CCO[C@H]2NC4=CC=CC=C34)C(=O)OC

DOS

IR

Vibrations