Geometry & MOs

Info

ID:

326033

PubChem CID:

126686144

Reduced:

ClN3O5C22H24 (1)

Stoich.:

AB3C5D22E24 (1)

Weight, g/mol:

461.171749

ΔHf, kcal/mol:

-176.1

Dipole, Da:

5.92

IP(EA), eV:

 -8.85(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CNC5CC5.Cl

DOS

IR

Vibrations