Geometry & MOs

Info

ID:

82666

PubChem CID:

49856303

Reduced:

NO6C28H32 (2)

Stoich.:

AB6C28D32 (2)

Weight, g/mol:

408.251189

ΔHf, kcal/mol:

-411.75

Dipole, Da:

1.23

IP(EA), eV:

 -8.14(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S,5S,7R,11R,12R)-12-ethyl-3,5,7,11-tetramethyl-4-[[(2R,6S)-6-methyl-5-oxo-2H-pyran-2-yl]oxy]-oxacyclododecane-2,8-dione

Drug info:

PubChemData

Smile

C/C=C(\C)/C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=C4C(=CC(=C(C4=C3OC)O)[C@@H]5C[C@]([C@@H]([C@@H](O5)C)OC(=O)C)(C)NC(=O)OCC6=CC=CC=C6)[C@H]7C[C@H]([C@@H]([C@H](O7)C)OCC8=CC=CC=C8)N(C)C)OC

DOS

IR

Vibrations