Geometry & MOs

Info

ID:	44753
PubChem CID:	10505742
Reduced:	ClNO7C25H44 (1)
Stoich.:	ABC7D25E44 (1)
Weight, g/mol:	506.02965
ΔH_f, kcal/mol:	-354.33
Dipole, Da:	6.22
IP(EA), eV:	-8.65(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-diphenylphosphoryl-2-iodo-1-phenylethenyl)benzene

Drug info:

PubChemData

Smile

C[C@@]1(CC(=O)[C@@]2([C@]3([C@H](CCC(C3[C@@H]([C@@H]([C@]2(O1)C)OCC(C[NH+](C)C)O)O)(C)C)O)C)O)C=C.[Cl-]

DOS

IR

Vibrations