Geometry & MOs

Info

ID:

447934

PubChem CID:

135286948

Reduced:

SN7H23C27 (1)

Stoich.:

AB7C23D27 (1)

Weight, g/mol:

585.170685

ΔHf, kcal/mol:

215.69

Dipole, Da:

3.92

IP(EA), eV:

 -8.75(-2.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-fluoro-5-(methanesulfonamidomethyl)phenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=NC=C4C(=C3)/C(=C\5/C=C6C(=CN=CC6=N5)C7=CSC=C7)/NN4

DOS

IR

Vibrations