Geometry & MOs

Info

ID:

447823

PubChem CID:

135286031

Reduced:

FSO3N7H20C26 (1)

Stoich.:

ABC3D7E20F26 (1)

Weight, g/mol:

477.191323

ΔHf, kcal/mol:

39.27

Dipole, Da:

7.63

IP(EA), eV:

 -8.76(-2.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C\4/C5=C(NN4)N=CC(=C5)C6=CC(=CN=C6)O)/C=C32

DOS

IR

Vibrations