Geometry & MOs

Info

ID:	61321
PubChem CID:	26708186
Reduced:	BrNF3O3H17C18 (1)
Stoich.:	ABC3D3E17F18 (1)
Weight, g/mol:	482.112327
ΔH_f, kcal/mol:	-239.45
Dipole, Da:	5.79
IP(EA), eV:	-9.29(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfonyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC(=C(C(=C2)OC)Br)OC

DOS

IR

Vibrations