Geometry & MOs

Info

ID:

444204

PubChem CID:

135261697

Reduced:

FSO3N7H26C31 (1)

Stoich.:

ABC3D7E26F31 (1)

Weight, g/mol:

522.254338

ΔHf, kcal/mol:

47.15

Dipole, Da:

8.2

IP(EA), eV:

 -8.55(-1.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3Z)-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]indol-2-ylidene]-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)C(C1=CC(=CC(=C1)C2=CC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CC7)/C=C32)F)N

DOS

IR

Vibrations