Geometry & MOs

Info

ID:

444166

PubChem CID:

135261559

Reduced:

FSO3N7H26C30 (1)

Stoich.:

ABC3D7E26F30 (1)

Weight, g/mol:

631.307102

ΔHf, kcal/mol:

13.73

Dipole, Da:

2.18

IP(EA), eV:

 -8.59(-2.02)

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-[5-(2-pyrrolidin-1-ylethoxy)pyridin-3-yl]-1,2-dihydropyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CCC(=O)NC1=CN=CC(=C1)C2=CC\3=C(NN/C3=C\4/C=C5C(=N4)C=CC=C5C6=CC(=CC(=C6)F)C(N)S(=O)(=O)C)N=C2

DOS

IR

Vibrations