Geometry & MOs

Info

ID:

380676

PubChem CID:

134971196

Reduced:

OPH21C29 (1)

Stoich.:

ABC21D29 (1)

Weight, g/mol:

734.213969

ΔHf, kcal/mol:

84.18

Dipole, Da:

1.6

IP(EA), eV:

 -8.88(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S)-13-[3-(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

C1=CC=C(C=C1)C2=CC3(C=C(P2C4=CC=CC=C43)C5=CC=CC=C5O)C6=CC=CC=C6

DOS

IR

Vibrations