Geometry & MOs

Info

ID:

298191

PubChem CID:

117647995

Reduced:

P3O10C84H95 (1)

Stoich.:

A3B10C84D95 (1)

Weight, g/mol:

1384.557083

ΔHf, kcal/mol:

-416.09

Dipole, Da:

7.76

IP(EA), eV:

 -7.63(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4,8-ditert-butyl-6-[[15-[2-tert-butyl-6-[3-tert-butyl-2-(4,8-ditert-butyl-2,10-dimethoxybenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-5-methoxyphenyl]-4-methoxyphenoxy]-14,16-dioxa-15-phosphatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-3-yl]oxy]-2-(hydroxymethyl)benzo[d][1,3,2]benzodioxaphosphepin-10-yl]methanol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2=C(C(=C1)C(C)(C)C)OP(OC3=C2C=C(C=C3C(C)(C)C)C(C)(C)C)OC4=CC=CC5=C4C6=C7C(=C5)C=CC=C7OP(O6)OC8=C(C=C(C=C8C(C)(C)C)C(C)(C)C)C9=C(C(=CC(=C9)C(C)(C)C)C(C)(C)C)OP1OC2=CC=CC3=C2C(=C2C(=C3)C=CC=C2O)O1

DOS

IR

Vibrations