Geometry & MOs

Info

ID:	186860
PubChem CID:	77496655
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	238.066365
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	8.0
IP(EA), eV:	-9.39(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzenesulfinyl)-4-ethoxybut-3-en-2-one

Drug info:

PubChemData

Smile

CCC(C)(CC)C1C=CC2=NC(=O)NC2=C1

DOS

IR

Vibrations