Geometry & MOs

Info

ID:

14860

PubChem CID:

422738

Reduced:

N2O13C50H72 (1)

Stoich.:

A2B13C50D72 (1)

Weight, g/mol:

908.50344

ΔHf, kcal/mol:

-493.07

Dipole, Da:

5.07

IP(EA), eV:

 -7.8(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[26-[[dodecyl(hydroxy)amino]methylidene]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,24,27-octaen-13-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN(C=C1C(=C2C3=C(C1=NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)C)O)O)O

DOS

IR

Vibrations