Geometry & MOs

Info

ID:

298190

PubChem CID:

117647992

Reduced:

P3O14H71C72 (1)

Stoich.:

A3B14C71D72 (1)

Weight, g/mol:

1356.61381

ΔHf, kcal/mol:

-547.22

Dipole, Da:

3.67

IP(EA), eV:

 -8.0(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[2,4-ditert-butyl-6-[3,5-ditert-butyl-2-[[3-(2,4,8,10-tetratert-butylbenzo[d][1,3,2]benzodioxaphosphepin-6-yl)oxy-14,16-dioxa-15-phosphatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),3,5,8,10,12-heptaen-15-yl]oxy]phenyl]phenoxy]-14,16-dioxa-15-phosphatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),10,12-heptaen-3-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC2=C1OP(OC3=C2C=C(C=C3C(C)(C)C)CO)OC4=CC=CC5=C4C6=C7C(=C5)C=CC=C7OP(O6)OC8=C(C=C(C=C8C(C)(C)C)OC)C9=C(C(=CC(=C9)OC)C(C)(C)C)OP1OC2=CC=CC3=C2C(=C2C(=C3)C=CC=C2O)O1)CO

DOS

IR

Vibrations