Geometry & MOs

Info

ID:

398771

PubChem CID:

135035339

Reduced:

PO2H21C22 (1)

Stoich.:

AB2C21D22 (1)

Weight, g/mol:

488.27379

ΔHf, kcal/mol:

-51.48

Dipole, Da:

4.01

IP(EA), eV:

 -9.09(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(5S,7S,9R)-8-[tert-butyl(dimethyl)silyl]oxy-3-methyl-9-(2-trimethylsilylethoxymethoxy)-2,4,10-trioxatricyclo[3.3.1.13,7]decan-6-ylidene]amino]-N-methylmethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations