Geometry & MOs

Info

ID:

380677

PubChem CID:

134971197

Reduced:

P2O3H36C49 (1)

Stoich.:

A2B3C36D49 (1)

Weight, g/mol:

734.213969

ΔHf, kcal/mol:

71.34

Dipole, Da:

1.47

IP(EA), eV:

 -7.83(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-13-[2-(8,11-diphenyl-1-phosphatricyclo[6.2.2.02,7]dodeca-2,4,6,9,11-pentaen-10-yl)phenoxy]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2,4,6,8,16,18,22-octaene

Drug info:

PubChemData

Smile

C1CC=C2C(=C1)C=CC3=C2C4=C5C=CC=CC5=CC[C@@H]4OP(O3)OC6=CC=CC(=C6)C7=CC8(C=C(P7C9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations