Geometry & MOs

Info

ID:

18204

PubChem CID:

538903

Reduced:

NO16C34H41 (1)

Stoich.:

AB16C34D41 (1)

Weight, g/mol:

719.242534

ΔHf, kcal/mol:

-674.07

Dipole, Da:

1.63

IP(EA), eV:

 -10.36(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(18,19,21-triacetyloxy-24,25-dihydroxy-3,13,14,25-tetramethyl-6,15,22-trioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-20-yl)methyl acetate

Drug info:

PubChemData

Smile

CC1C(C(=O)OC2C(C(C3(C(C(=O)C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)O)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C

DOS

IR

Vibrations