Geometry & MOs

Info

ID:

189833

PubChem CID:

77910519

Reduced:

N2O6H28C31 (1)

Stoich.:

A2B6C28D31 (1)

Weight, g/mol:

864.430944

ΔHf, kcal/mol:

-126.4

Dipole, Da:

6.19

IP(EA), eV:

 -8.52(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 12-[11-acetyloxy-5-(2-acetyloxyethoxy)-10-(acetyloxymethyl)-12-ethyl-10-hydroxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraen-4-yl]-16-ethyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaene-12-carboxylate

Drug info:

PubChemData

Smile

C1C(C2C(O1)C(CO2)OCC3=CC=CC=C3)NC(=O)C(=CC4=CC5=CC=CC=C5O4)NC(=O)C6=CC=CC=C6

DOS

IR

Vibrations