Geometry & MOs

Info

ID:	449193
PubChem CID:	135296723
Reduced:	FSN3C18H18 (1)
Stoich.:	ABC3D18E18 (1)
Weight, g/mol:	553.202637
ΔH_f, kcal/mol:	24.75
Dipole, Da:	4.93
IP(EA), eV:	-8.38(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)SC4=CC=C(C=C4)F

DOS

IR

Vibrations