Geometry & MOs

Info

ID:

448047

PubChem CID:

135287960

Reduced:

NSO3C20H23 (1)

Stoich.:

ABC3D20E23 (1)

Weight, g/mol:

578.266634

ΔHf, kcal/mol:

-57.72

Dipole, Da:

7.24

IP(EA), eV:

 -9.09(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]imidazo[4,5-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(N(C(=C1CC=C)C2=CC=C(C=C2)S(=O)(=O)C3CC3)C)C(=O)C

DOS

IR

Vibrations