Geometry & MOs

Info

ID:

296772

PubChem CID:

117592178

Reduced:

ClNO3C19H21 (2)

Stoich.:

ABC3D19E21 (2)

Weight, g/mol:

1037.419119

ΔHf, kcal/mol:

-189.76

Dipole, Da:

5.77

IP(EA), eV:

 -8.17(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione;(1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 2-methylbut-2-enoate;sulfuric acid

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.COC1=CC2=C(C=C1)C=C3C4=CC(=C(C=C4OCC3(O2)O)OC)OC.Cl

DOS

IR

Vibrations