Geometry & MOs

Info

ID:

392470

PubChem CID:

135016857

Reduced:

O14H68C81 (1)

Stoich.:

A14B68C81 (1)

Weight, g/mol:

1264.460907

ΔHf, kcal/mol:

-256.36

Dipole, Da:

5.5

IP(EA), eV:

 -8.49(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6S)-2-methyl-6-[4-oxo-5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-3-yl]oxy-4-phenylmethoxy-5-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]oxyoxan-3-yl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)C6=CC=C(C=C6)OCC7=CC=CC=C7)OC(=O)/C=C/C8=CC=C(C=C8)OCC9=CC=CC=C9)OC(=O)/C=C/C1=CC=C(C=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations