Geometry & MOs

Info

ID:

308966

PubChem CID:

126533053

Reduced:

FSO2N8H19C25 (1)

Stoich.:

ABC2D8E19F25 (1)

Weight, g/mol:

561.228851

ΔHf, kcal/mol:

103.7

Dipole, Da:

5.76

IP(EA), eV:

 -8.67(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(3-fluoro-5-methoxyphenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)NCC1=CC(=CC(=C1)F)C2=NC=CC3=N/C(=C/4\C5=C(C=CC(=N5)C6=NC=CN=C6)NN4)/C=C32

DOS

IR

Vibrations