Geometry & MOs

Info

ID:

395522

PubChem CID:

135025704

Reduced:

N3O6H19C22 (1)

Stoich.:

A3B6C19D22 (1)

Weight, g/mol:

407.111735

ΔHf, kcal/mol:

-158.98

Dipole, Da:

3.92

IP(EA), eV:

 -8.77(-2.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-methoxy-3-methoxycarbonyl-11-oxo-3,10,19-triazapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(19),2(7),8,12(20),13,15,17-heptaene-8-carboxylic acid

Drug info:

PubChemData

Smile

COC1CCN(C2=C1C(=C3C4=C(C5=CC=CC=C5N=C42)C(=O)N3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations