Geometry & MOs

Info

ID:	314941
PubChem CID:	126623994
Reduced:	ClFN2O2C17H18 (1)
Stoich.:	ABC2D2E17F18 (1)
Weight, g/mol:	576.10331
ΔH_f, kcal/mol:	-100.9
Dipole, Da:	4.25
IP(EA), eV:	-8.89(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]-1-[(2R,4R)-2-(5-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-fluoropyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NC1=CC=CC(=C1F)C2=CC=CC=C2Cl)NC)O

DOS

IR

Vibrations