Geometry & MOs

Info

ID:	300605
PubChem CID:	123044972
Reduced:	BrNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	519.144865
ΔH_f, kcal/mol:	-82.46
Dipole, Da:	6.69
IP(EA), eV:	-9.22(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3Z)-1-(4-chlorophenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(/C(=C(\C3=CC(=CC=C3)OCC(C)C)/O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations