Geometry & MOs

Info

ID:

15962

PubChem CID:

456552

Reduced:

N5O27C68H91 (1)

Stoich.:

A5B27C68D91 (1)

Weight, g/mol:

1409.590143

ΔHf, kcal/mol:

-1081.28

Dipole, Da:

7.85

IP(EA), eV:

 -8.98(-1.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[(5R)-5-(5-acetyl-2-oxo-1H-imidazol-3-yl)-3,4-dihydroxyoxolan-2-yl]-2-[[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino]acetic acid;[3',4,6-trihydroxy-6'-(hydroxymethyl)-5'-[3,4,5-trihydroxy-6-(8-hydroxydeca-2,4,6-trienoyloxymethyl)oxan-2-yl]oxyspiro[1H-2-benzofuran-3,2'-oxane]-4'-yl] 7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate

Drug info:

PubChemData

Smile

CCC(C)CCC=CC=C(C)C(CC=CC=CC(=O)OC1C(C(OC2(C1O)C3=C(CO2)C=C(C=C3O)O)CO)OC4C(C(C(C(O4)COC(=O)C=CC=CC=CC(CC)O)O)O)O)O.C[C@H]([C@@H](C1=NC=C(C=C1)O)O)[C@@H](C(=O)N[C@@H](C2C(C([C@@H](O2)N3C=C(NC3=O)C(=O)C)O)O)C(=O)O)N

DOS

IR

Vibrations