Geometry & MOs

Info

ID:	234331
PubChem CID:	92298196
Reduced:	NBr2O4H17C24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	542.95038
ΔH_f, kcal/mol:	-51.78
Dipole, Da:	8.32
IP(EA), eV:	-8.99(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-(4-bromophenyl)-4-[(4-bromophenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@H]2C(=C(C3=CC=C(C=C3)Br)O)C(=O)C(=O)N2C4=CC=C(C=C4)Br

DOS

IR

Vibrations