Geometry & MOs

Info

ID:	300811
PubChem CID:	123055097
Reduced:	BrNO5H26C28 (1)
Stoich.:	ABC5D26E28 (1)
Weight, g/mol:	509.0638
ΔH_f, kcal/mol:	-117.67
Dipole, Da:	6.99
IP(EA), eV:	-8.77(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-bromophenyl)-1-(3-fluorophenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations