Geometry & MOs

Info

ID:	135500
PubChem CID:	51882216
Reduced:	BrFO3N4H14C19 (1)
Stoich.:	ABC3D4E14F19 (1)
Weight, g/mol:	444.02333
ΔH_f, kcal/mol:	-84.81
Dipole, Da:	2.95
IP(EA), eV:	-9.22(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-fluorophenyl)-2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CC(=O)NC2=C(C=C(C=C2)Br)F)C3=CC=C(C=C3)C#N

DOS

IR

Vibrations