Geometry & MOs

Info

ID:

170392

PubChem CID:

75227395

Reduced:

F3N3O4H16C23 (1)

Stoich.:

A3B3C4D16E23 (1)

Weight, g/mol:

444.14337

ΔHf, kcal/mol:

-213.95

Dipole, Da:

5.58

IP(EA), eV:

 -9.62(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 10-[5-(methylcarbamoyl)-1H-indole-2-carbonyl]-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(N1)C(=O)C=C3C24CC4CN3C(=O)C5=CC6=C(N5)C=CC(=C6)C(F)(F)F

DOS

IR

Vibrations