Geometry & MOs

Info

ID:	308785
PubChem CID:	126522674
Reduced:	SO2N6H26C30 (1)
Stoich.:	AB2C6D26E30 (1)
Weight, g/mol:	407.120467
ΔH_f, kcal/mol:	99.68
Dipole, Da:	7.41
IP(EA), eV:	-8.54(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-4-(5-methylthiophen-2-yl)-2-(5-pyridin-4-yl-1,2-dihydroindazol-3-ylidene)pyrrolo[2,3-b]pyridine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C/4\C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C(C)(C)C)NN4)/C=C23

DOS

IR

Vibrations