Geometry & MOs

Info

ID:	234187
PubChem CID:	92297888
Reduced:	FSO3N7C26H26 (1)
Stoich.:	ABC3D7E26F26 (1)
Weight, g/mol:	556.92965
ΔH_f, kcal/mol:	-6.08
Dipole, Da:	2.34
IP(EA), eV:	-9.52(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2R,3E)-2-(4-bromophenyl)-3-[(4-bromophenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-1-yl]benzoic acid

Drug info:

PubChemData

Smile

C1C[C@@H](OC1)CNC(=O)[C@@H](C2=CC=NC=C2)N(CC3=CC=CS3)C(=O)CN4N=C(N=N4)C5=CC=C(C=C5)F

DOS

IR

Vibrations