Geometry & MOs

Info

ID:

326014

PubChem CID:

126686042

Reduced:

ClN4O5C19H23 (1)

Stoich.:

AB4C5D19E23 (1)

Weight, g/mol:

500.12294

ΔHf, kcal/mol:

-194.24

Dipole, Da:

12.62

IP(EA), eV:

 -8.45(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-15-[[2-(methylamino)ethylamino]methyl]-4-oxo-10-oxa-3,14-diazatetracyclo[9.7.0.02,7.013,17]octadeca-1(11),2(7),5,12,15,17-hexaen-5-yl] hydrogen carbonate;dihydrochloride

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)C4=C(CCN3)C(=C(C(=O)N4)OC(=O)O)O.Cl

DOS

IR

Vibrations