Geometry & MOs

Info

ID:	308705
PubChem CID:	126522401
Reduced:	S2O6N8C23H28 (1)
Stoich.:	A2B6C8D23E28 (1)
Weight, g/mol:	407.129472
ΔH_f, kcal/mol:	-183.89
Dipole, Da:	5.15
IP(EA), eV:	-8.97(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CN1C(=O)C2=C(N=C(N2C)SCCCSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)CC(=O)C)N(C1=O)C

DOS

IR

Vibrations