Geometry & MOs

Info

ID:	308949
PubChem CID:	126532462
Reduced:	ClOF2N4H17C24 (1)
Stoich.:	ABC2D4E17F24 (1)
Weight, g/mol:	449.160023
ΔH_f, kcal/mol:	-33.64
Dipole, Da:	2.41
IP(EA), eV:	-9.31(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3E)-3-[4-(furan-3-yl)pyrrolo[2,3-c]pyridin-2-ylidene]-1,2-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2C(=C1Cl)N[C@H](C)C3=C(C=CC(=C3)C#N)F)C4=CNC(=O)C=C4)F

DOS

IR

Vibrations