Geometry & MOs

Info

ID:

163794

PubChem CID:

74380288

Reduced:

Cl2O2F3N5H30C32 (1)

Stoich.:

A2B2C3D5E30F32 (1)

Weight, g/mol:

575.264488

ΔHf, kcal/mol:

-162.58

Dipole, Da:

3.86

IP(EA), eV:

 -9.21(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2'-oxo-N-[8-oxo-9-(2-pyrrolidin-1-ylethyl)-3,6,7,10-tetrahydropyrazolo[3,4-i][2]benzazepin-7-yl]spiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-carboxamide

Drug info:

PubChemData

Smile

CC1(C(CC1C2=CC(=NN2C3=CC(=C(C=C3)Cl)Cl)C4=CN=CC=C4)CC(=O)NC(CC5=CC=C(C=C5)C(F)(F)F)C(=O)N)C

DOS

IR

Vibrations