Geometry & MOs

Info

ID:	314864
PubChem CID:	126623826
Reduced:	BrON3C12H16 (1)
Stoich.:	ABC3D12E16 (1)
Weight, g/mol:	576.173975
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	3.4
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-[3-(2-chlorophenyl)-2-fluorophenyl]-4-fluoro-1-[2-[3-methoxy-5-(2-methylpyrimidin-5-yl)phenyl]acetyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](CNC1)CNC(=O)C2=NC(=CC=C2)Br

DOS

IR

Vibrations