Geometry & MOs

Info

ID:

386442

PubChem CID:

134981759

Reduced:

NO4C18H21 (1)

Stoich.:

AB4C18D21 (1)

Weight, g/mol:

627.342334

ΔHf, kcal/mol:

-73.01

Dipole, Da:

6.46

IP(EA), eV:

 -9.2(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(2R,3R,6E,9R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-methyl-9-[(1E)-2-methylbuta-1,3-dienyl]-2,3,4,5,8,9-hexahydrooxonin-3-yl]oxy-triphenylphosphanium

Drug info:

PubChemData

Smile

CCOC(=O)[C@@]1(C=C(C=C(C1C2=CC=C(C=C2)[N+](=O)[O-])C)C)C

DOS

IR

Vibrations