Geometry & MOs

Info

ID:

326000

PubChem CID:

126685958

Reduced:

Cl2N4O5C25H32 (1)

Stoich.:

A2B4C5D25E32 (1)

Weight, g/mol:

467.242021

ΔHf, kcal/mol:

-227.1

Dipole, Da:

10.97

IP(EA), eV:

 -8.86(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[(heptylamino)methyl]-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

Drug info:

PubChemData

Smile

CN1C(=CC2=CC3=C(CCCC4=C3NC(=O)C(=C4O)OC(=O)O)C=C21)CN5CCC(C5)N(C)C.Cl.Cl

DOS

IR

Vibrations