Geometry & MOs

Info

ID:

1778

PubChem CID:

5040

Reduced:

NO13C51H79 (1)

Stoich.:

AB13C51D79 (1)

Weight, g/mol:

913.555142

ΔHf, kcal/mol:

-594.19

Dipole, Da:

10.28

IP(EA), eV:

 -9.15(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone

Drug info:

PubChemData

Smile

CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC

DOS

IR

Vibrations