Geometry & MOs

Info

ID:	391257
PubChem CID:	135003931
Reduced:	ClS3H21C34 (1)
Stoich.:	AB3C21D34 (1)
Weight, g/mol:	222.081143
ΔH_f, kcal/mol:	201.7
Dipole, Da:	3.31
IP(EA), eV:	-8.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1E)-1-chloro-1-ethoxypenta-1,4-dien-2-yl]benzene

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)SC#CC(=C(SC3=CC4=CC=CC=C4C=C3)SC5=CC6=CC=CC=C6C=C5)Cl

DOS

IR

Vibrations