Geometry & MOs

Info

ID:

394726

PubChem CID:

135023644

Reduced:

O13C40H66 (1)

Stoich.:

A13B40C66 (1)

Weight, g/mol:

412.264501

ΔHf, kcal/mol:

-706.95

Dipole, Da:

5.1

IP(EA), eV:

 -9.56(0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,4S)-3-(methoxymethoxy)-6-methylhepta-1,5-dien-4-yl] (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-2-enoate

Drug info:

PubChemData

Smile

C[C@@H](C[C@@H]1CC[C@@H](O1)[C@@H](C)C(=O)O[C@H](C)C[C@H]2CC[C@H](O2)[C@H](C)C(=O)O[C@@H](C)C[C@@H]3CC[C@@H](O3)[C@@H](C)C(=O)O[C@H](C)C[C@H]4CC[C@H](O4)[C@H](C)C(=O)O)O

DOS

IR

Vibrations