Geometry & MOs

Info

ID:	391157
PubChem CID:	135003211
Reduced:	OC16H18 (1)
Stoich.:	AB16C18 (1)
Weight, g/mol:	232.07693
ΔH_f, kcal/mol:	37.23
Dipole, Da:	3.27
IP(EA), eV:	-9.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-2-[ethoxy(methylsulfanyl)methylidene]-3-oxobutanoate

Drug info:

PubChemData

Smile

C1CC1CC2(C3=CC=CC=C3C2=O)CC4CC4

DOS

IR

Vibrations