Geometry & MOs

Info

ID:	403135
PubChem CID:	135058907
Reduced:	PO6C33H43 (1)
Stoich.:	AB6C33D43 (1)
Weight, g/mol:	496.141459
ΔH_f, kcal/mol:	-234.14
Dipole, Da:	6.98
IP(EA), eV:	-8.26(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[2-[(E)-2-phenylethenyl]phenyl]-[2-(2-phenylethynyl)phenyl]-sulfanylidene-lambda5-phosphane

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)C2=C(C3=CC=CC=C3C(=C2P(=O)(C4CCCCC4)C5CCCCC5)OC)OC)OC

DOS

IR

Vibrations