Geometry & MOs

Info

ID:	308943
PubChem CID:	126532339
Reduced:	FSO2N7H20C26 (1)
Stoich.:	ABC2D7E20F26 (1)
Weight, g/mol:	409.110965
ΔH_f, kcal/mol:	88.28
Dipole, Da:	8.65
IP(EA), eV:	-8.7(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=NC\2=C1NN/C2=C/3\C=C4C(=N3)C=CN=C4C5=CC(=CC(=C5)CCS(=O)(=O)N)F)C6=CC=NC=C6

DOS

IR

Vibrations