Geometry & MOs

Info

ID:

382188

PubChem CID:

134973166

Reduced:

P2Si4O9C61H70 (1)

Stoich.:

A2B4C9D61E70 (1)

Weight, g/mol:

558.298139

ΔHf, kcal/mol:

-523.04

Dipole, Da:

3.0

IP(EA), eV:

 -8.14(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,17R)-8-methoxy-17-phenylmethoxy-12-(3-phenylmethoxypropyl)-11,19-dioxatricyclo[13.3.1.04,9]nonadeca-4(9),5,7-trien-10-one

Drug info:

PubChemData

Smile

CC([C@@H]1[C@@H](C2C(O1)OC(O2)(C)C)OP3OC4=C(C5=CC=CC=C5C=C4[Si](C)(C)C)C6=C(O3)C(=CC7=CC=CC=C76)[Si](C)(C)C)OP8OC9=C(C1=CC=CC=C1C=C9[Si](C)(C)C)C1=C(O8)C(=CC2=CC=CC=C21)[Si](C)(C)C

DOS

IR

Vibrations