Geometry & MOs

Info

ID:

394278

PubChem CID:

135022672

Reduced:

O14C65H70 (1)

Stoich.:

A14B65C70 (1)

Weight, g/mol:

467.215532

ΔHf, kcal/mol:

-403.17

Dipole, Da:

7.85

IP(EA), eV:

 -9.28(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-2-hydroxy-1-[(4R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]-3-methoxy-5-[methoxy(methyl)amino]-5-oxopent-3-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

COCOC[C@@]1(C(C([C@H](C(O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OCC6[C@H](C(C([C@H](O6)OC)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9

DOS

IR

Vibrations