Geometry & MOs

Info

ID:

443875

PubChem CID:

135260249

Reduced:

FSO3N8H25C30 (1)

Stoich.:

ABC3D8E25F30 (1)

Weight, g/mol:

534.183795

ΔHf, kcal/mol:

57.4

Dipole, Da:

11.65

IP(EA), eV:

 -8.2(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[5-[(2E)-2-[5-(5-cyclohexyloxypyridin-3-yl)-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone

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=CC(=CN=C6)NC(=O)C7CC7)NN4)/C=C32

DOS

IR

Vibrations