Geometry & MOs

Info

ID:

49498

PubChem CID:

11533122

Reduced:

O2N3F4H19C26 (1)

Stoich.:

A2B3C4D19E26 (1)

Weight, g/mol:

481.175004

ΔHf, kcal/mol:

-215.49

Dipole, Da:

3.46

IP(EA), eV:

 -8.95(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[1-[2-oxo-2-[(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)amino]ethyl]pyrrolo[2,3-c]pyridin-3-yl]acetate

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CC4=C(N3CC5=CC(=CC=C5)F)C=CC(=C4)C(F)(F)F

DOS

IR

Vibrations