Geometry & MOs

Info

ID:	234188
PubChem CID:	92297889
Reduced:	NBr2O5H15C24 (1)
Stoich.:	AB2C5D15E24 (1)
Weight, g/mol:	534.97977
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	9.13
IP(EA), eV:	-9.59(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)N2[C@@H](/C(=C(/C3=CC=C(C=C3)Br)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br)C(=O)O

DOS

IR

Vibrations