Geometry & MOs

Info

ID:

386604

PubChem CID:

134982290

Reduced:

PO3C22H23 (1)

Stoich.:

AB3C22D23 (1)

Weight, g/mol:

568.344015

ΔHf, kcal/mol:

-96.85

Dipole, Da:

4.4

IP(EA), eV:

 -9.76(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[(2R,4S,5E,7Z,9E,11S)-11-methoxy-2,4,10-trimethyl-12-[(8S,11R)-11-methyl-7-oxa-1,5-dithiaspiro[5.5]undecan-8-yl]dodeca-5,7,9-trienoxy]-dimethylsilane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@H](CCO)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)O

DOS

IR

Vibrations