Geometry & MOs

Info

ID:	308678
PubChem CID:	126522374
Reduced:	BrSO4N8C22H29 (1)
Stoich.:	ABC4D8E22F29 (1)
Weight, g/mol:	390.134142
ΔH_f, kcal/mol:	-129.47
Dipole, Da:	3.17
IP(EA), eV:	-8.94(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCN1C2=C(N=C1SCCCN3C4=C(N=C3Br)N(C(=O)N(C4=O)C)C)N(C(=O)N(C2=O)C)C

DOS

IR

Vibrations