Geometry & MOs

Info

ID:

444157

PubChem CID:

135261535

Reduced:

FON6H21C31 (1)

Stoich.:

ABC6D21E31 (1)

Weight, g/mol:

514.133571

ΔHf, kcal/mol:

157.3

Dipole, Da:

4.3

IP(EA), eV:

 -8.65(-2.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[3-fluoro-5-[(2Z)-2-(5-pyrazin-2-yl-1,2-dihydropyrazolo[3,4-c]pyridin-3-ylidene)pyrrolo[3,2-c]pyridin-4-yl]phenyl]methyl]methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC2=CN=CC(=C2)C3=NC=C4C(=C3)/C(=C/5\C=C6C(=N5)C=CN=C6C7=CC=CC=C7F)/NN4

DOS

IR

Vibrations