Geometry & MOs

Info

ID:	392559
PubChem CID:	135017157
Reduced:	ON4H20C23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	360.118401
ΔH_f, kcal/mol:	116.52
Dipole, Da:	8.21
IP(EA), eV:	-9.16(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-phenyl-1-phenylsulfanylbut-3-enyl]-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)C/C(=C(\C#N)/[N+]#[C-])/CC1C(=C(OC2=C1C3=CC=CC=C3C=C2)N)C#N

DOS

IR

Vibrations