Geometry & MOs

Info

ID:

7633

PubChem CID:

73568

Reduced:

O18H22C27 (1)

Stoich.:

A18B22C27 (1)

Weight, g/mol:

634.080614

ΔHf, kcal/mol:

-650.59

Dipole, Da:

5.0

IP(EA), eV:

 -9.26(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1S,19R,21S,22R,23R)-6,7,8,11,12,13,22,23-octahydroxy-3,16-dioxo-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-21-yl] 3,4,5-trihydroxybenzoate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O

DOS

IR

Vibrations