Geometry & MOs

Info

ID:

449206

PubChem CID:

135296837

Reduced:

Cl2O3N7H19C28 (1)

Stoich.:

A2B3C7D19E28 (1)

Weight, g/mol:

532.257337

ΔHf, kcal/mol:

94.73

Dipole, Da:

5.87

IP(EA), eV:

 -9.42(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 9-(3-methoxypropoxy)-3,3-dimethyl-15-oxo-10-phenylmethoxy-1,2-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-7,9,11,13,16-pentaene-16-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC2=NOC3=CC=CC=C32)N4C=NC(=CC4=O)C5=C(C=CC(=C5)Cl)N6C=C(N=N6)Cl

DOS

IR

Vibrations