Geometry & MOs

Info

ID:	379979
PubChem CID:	134964422
Reduced:	ON2H8C14 (1)
Stoich.:	AB2C8D14 (1)
Weight, g/mol:	288.082016
ΔH_f, kcal/mol:	67.65
Dipole, Da:	6.93
IP(EA), eV:	-9.12(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-1-(benzenesulfonyl)prop-1-enyl]-4-methoxybenzene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2OC(=N)C(=C3)C#N

DOS

IR

Vibrations