Geometry & MOs

Info

ID:

45155

PubChem CID:

10508510

Reduced:

N3O9C34H61 (1)

Stoich.:

A3B9C34D61 (1)

Weight, g/mol:

658.390095

ΔHf, kcal/mol:

-509.86

Dipole, Da:

5.75

IP(EA), eV:

 -9.78(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (3R,4R,5R,6S)-3-acetyloxy-8,8-dimethoxy-3,5-dimethyl-4-phenylmethoxy-6-tri(propan-2-yl)silyloxyoctanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC[C@@H]1[C@@H]([C@H]([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O1)COC(=O)C)[C@@H](C)O)C(C)C)C)O)C

DOS

IR

Vibrations