Geometry & MOs

Info

ID:

319931

PubChem CID:

126657615

Reduced:

FO3N7H26C27 (1)

Stoich.:

AB3C7D26E27 (1)

Weight, g/mol:

552.205593

ΔHf, kcal/mol:

-10.1

Dipole, Da:

2.7

IP(EA), eV:

 -8.14(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2Z)-2-[5-[5-[(1-hydroxy-3,3-dimethylbutyl)amino]pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridin-3-ylidene]imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

C=CC(=O)NC1=CC(=CC=C1)OC2=NC(=NC3=C2C=CN3)NC4=C(C=C(C=C4)NC5CN(C5)CCF)C=O

DOS

IR

Vibrations