Geometry & MOs

Info

ID:

32267

PubChem CID:

6436249

Reduced:

N11O12C63H113 (1)

Stoich.:

A11B12C63D113 (1)

Weight, g/mol:

713.388745

ΔHf, kcal/mol:

-647.39

Dipole, Da:

8.13

IP(EA), eV:

 -9.34(0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4E,6E,8E)-3-hydroxy-N-[(2E,4E)-6-hydroxy-9-[8-hydroxy-1-(methoxymethyl)-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(2-methyl-1,3-oxazol-5-yl)deca-4,6,8-trienamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C)C)C

DOS

IR

Vibrations