Geometry & MOs

Info

ID:

329415

PubChem CID:

126736477

Reduced:

PO5H31C37 (1)

Stoich.:

AB5C31D37 (1)

Weight, g/mol:

1613.656707

ΔHf, kcal/mol:

-118.93

Dipole, Da:

4.84

IP(EA), eV:

 -8.84(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-[4-[(3-diphenylphosphoryl-4-prop-2-enoxyphenoxy)methyl]phenoxy]phenyl]methoxy]-3,5-dimethylphenoxy]-5-[4-[4-[1-[4-[4-[(2-diphenylphosphoryl-4-prop-2-enoxyphenoxy)methyl]phenoxy]phenyl]-2-methylpropan-2-yl]oxy-3,5-dimethylphenoxy]-3,5-dimethylphenyl]-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC(=C(C=C3)OC(=O)C(=C)C)P4(=O)C5=CC=CC=C5C6=CC=CC=C6O4

DOS

IR

Vibrations