Geometry & MOs

Info

ID:	314788
PubChem CID:	126623137
Reduced:	BrFON2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	606.151777
ΔH_f, kcal/mol:	-82.78
Dipole, Da:	2.75
IP(EA), eV:	-9.66(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H](CN[C@@H]1[C@@H](CC2=NC(=CC=C2)Br)O)F

DOS

IR

Vibrations