Geometry & MOs

Info

ID:

326047

PubChem CID:

126686208

Reduced:

ClN3O6C21H24 (1)

Stoich.:

AB3C6D21E24 (1)

Weight, g/mol:

443.16925

ΔHf, kcal/mol:

-239.09

Dipole, Da:

9.74

IP(EA), eV:

 -8.97(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-15-[(1-methoxypropan-2-ylamino)methyl]-14-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

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNCCO.Cl

DOS

IR

Vibrations