Geometry & MOs

Info

ID:

449194

PubChem CID:

135296735

Reduced:

FON7H24C33 (1)

Stoich.:

ABC7D24E33 (1)

Weight, g/mol:

470.241687

ΔHf, kcal/mol:

131.76

Dipole, Da:

9.49

IP(EA), eV:

 -8.64(-2.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 10-methoxy-11-(3-methoxypropoxy)-18,18-dimethyl-5-oxo-1,2-diazatetracyclo[12.4.0.02,7.08,13]octadeca-3,6,8,10,12-pentaene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)F)C2=CN=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7=CC=CC=C7)/C=C23

DOS

IR

Vibrations