Geometry & MOs

Info

ID:	314730
PubChem CID:	126622890
Reduced:	BrF2N2O3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	575.12805
ΔH_f, kcal/mol:	-196.74
Dipole, Da:	8.06
IP(EA), eV:	-9.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-(6-bromopyridin-2-yl)piperidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN([C@@H]1C(=O)NC2=CC(=C(C=C2)F)Br)C(=O)O)F

DOS

IR

Vibrations