Geometry & MOs

Info

ID:	308801
PubChem CID:	126522732
Reduced:	SO3N4C11H13 (2)
Stoich.:	AB3C4D11E13 (2)
Weight, g/mol:	420.149873
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	6.2
IP(EA), eV:	-8.98(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CN1C(=O)C2=C(N=C(N2C)SCCSC3=NC4=C(N3C)C(=O)N(C(=O)N4C)CC(=O)C)N(C1=O)C

DOS

IR

Vibrations