Geometry & MOs

Info

ID:	385203
PubChem CID:	134978508
Reduced:	PSO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	450.09733
ΔH_f, kcal/mol:	-101.66
Dipole, Da:	15.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768382
Charge, e:	0

Chem-info

IUPAC name:

iodo-bis(3-methylbut-2-enyl)-diphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

COC(=O)C(C(C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)(=O)O

DOS

IR

Vibrations