Geometry & MOs

Info

ID:

326039

PubChem CID:

126686163

Reduced:

N3O5C20H23 (1)

Stoich.:

A3B5C20D23 (1)

Weight, g/mol:

460.17467

ΔHf, kcal/mol:

-172.99

Dipole, Da:

10.83

IP(EA), eV:

 -8.56(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-hydroxy-14-methyl-4-oxo-15-[(pyridin-3-ylmethylamino)methyl]-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

CNC1CCN(C1)C2=CC3=C(C=C2)C4=C(CCC3)C(=C(C(=O)N4)OC(=O)O)O

DOS

IR

Vibrations