Geometry & MOs

Info

ID:

308780

PubChem CID:

126522668

Reduced:

FSO2N7C34H34 (1)

Stoich.:

ABC2D7E34F34 (1)

Weight, g/mol:

392.149793

ΔHf, kcal/mol:

53.88

Dipole, Da:

1.17

IP(EA), eV:

 -8.58(-1.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-5-(1-methylpyrazol-4-yl)-3-(4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-ylidene)-1,2-dihydropyrazolo[3,4-c]pyridine

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CN=CC(=C6)CNCC7CCCC7)NN4)/C=C23

DOS

IR

Vibrations