Geometry & MOs

Info

ID:

308779

PubChem CID:

126522667

Reduced:

FO2N6H31C34 (1)

Stoich.:

AB2C6D31E34 (1)

Weight, g/mol:

623.247873

ΔHf, kcal/mol:

42.32

Dipole, Da:

7.68

IP(EA), eV:

 -8.49(-1.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-[(2E)-2-[5-[5-[(cyclopentylmethylamino)methyl]pyridin-3-yl]-1,2-dihydroindazol-3-ylidene]pyrrolo[2,3-b]pyridin-4-yl]-5-fluorophenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)CC7CCCCC7)NN4)/C=C23)F

DOS

IR

Vibrations