Geometry & MOs

Info

ID:

448256

PubChem CID:

135289649

Reduced:

SN6H14C22 (1)

Stoich.:

AB6C14D22 (1)

Weight, g/mol:

613.201985

ΔHf, kcal/mol:

216.89

Dipole, Da:

7.4

IP(EA), eV:

 -8.46(-2.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[7-[3-[amino(methylsulfonyl)methyl]-5-fluorophenyl]imidazo[4,5-b]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]pentanamide

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=NC=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CN=CN=C6)NN4)/C=C32

DOS

IR

Vibrations