Geometry & MOs

Info

ID:	430610
PubChem CID:	135170676
Reduced:	NO3C14H15 (1)
Stoich.:	AB3C14D15 (1)
Weight, g/mol:	173.05105
ΔH_f, kcal/mol:	-90.84
Dipole, Da:	4.45
IP(EA), eV:	-9.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfanyl-2-hydroxy-1-methyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCC(=O)OC1C(=CC(=O)N1C)C2=CC=CC=C2

DOS

IR

Vibrations