Geometry & MOs

Info

ID:	409803
PubChem CID:	135082589
Reduced:	ClPC19H30 (1)
Stoich.:	ABC19D30 (1)
Weight, g/mol:	542.01194
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	3.4
IP(EA), eV:	-8.78(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-2-butylsulfanyl-2-[[(E)-1-butylsulfanyl-2-phenylethenyl]diselanyl]ethenyl]benzene

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC2(C1=CP2Cl)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations