Geometry & MOs

Info

ID:

398515

PubChem CID:

135033632

Reduced:

PN2O2C24H31 (1)

Stoich.:

AB2C2D24E31 (1)

Weight, g/mol:

864.350962

ΔHf, kcal/mol:

-103.09

Dipole, Da:

3.85

IP(EA), eV:

 -8.87(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[(4S,6S,7R,8S,11S)-6-methyl-2-oxo-3,9-dioxatricyclo[5.3.1.04,11]undec-1(10)-en-8-yl]oxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN(CC)C(=O)/C=C(/C)\NP1(=O)[C@@H](CC[C@H]1C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations