Geometry & MOs

Info

ID:

441406

PubChem CID:

135234542

Reduced:

ON9H23C30 (1)

Stoich.:

AB9C23D30 (1)

Weight, g/mol:

590.164871

ΔHf, kcal/mol:

209.59

Dipole, Da:

3.34

IP(EA), eV:

 -8.8(-2.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(NC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\N=C6C(=CC=NC6=N5)C7=CC=NC=C7)/NN4)O

DOS

IR

Vibrations