Geometry & MOs

Info

ID:

127789

PubChem CID:

51015262

Reduced:

O3H6C7 (2)

Stoich.:

A3B6C7 (2)

Weight, g/mol:

775.393162

ΔHf, kcal/mol:

-207.47

Dipole, Da:

2.6

IP(EA), eV:

 -10.24(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,6S,7S,10S,13R,14S,15S,16R,18R)-13,16-dihydroxy-4,4,7,19,20,20-hexamethyl-15-(oxan-2-yloxy)-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-18-yl] (2S,3R)-3-benzamido-2-hydroxy-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@@]34[C@](O2)(C5=CC=CC=C5C(=O)C3(O)O)O[C@@H]1O4

DOS

IR

Vibrations