Geometry & MOs

Info

ID:

7351

PubChem CID:

72225

Reduced:

NO12C41H53 (1)

Stoich.:

AB12C41D53 (1)

Weight, g/mol:

751.356776

ΔHf, kcal/mol:

-483.37

Dipole, Da:

8.91

IP(EA), eV:

 -9.71(-2.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,21R,22R,23S,24R,25S,29R)-14,21,22,24,29-pentahydroxy-2,6,10,15,19,21,23,28-octamethyl-16-pentoxy-27-oxa-8-azatetracyclo[23.2.2.19,13.012,17]triaconta-3,5,9,12,14,16,19-heptaene-7,11,18,26,30-pentone

Drug info:

PubChemData

Smile

CCCCCOC1=C2C3=C(C(=C1C)O)C(=O)C(=C(C3=O)C)NC(=O)C(=CC=C[C@H]([C@@H]4C([C@H]([C@H]([C@@H]([C@@H]([C@H]([C@](C=C(C2=O)C)(C)O)O)C)O)C(=O)O4)O)C)C)C

DOS

IR

Vibrations