Geometry & MOs

Info

ID:	300616
PubChem CID:	123045356
Reduced:	BrNO4H28C29 (1)
Stoich.:	ABC4D28E29 (1)
Weight, g/mol:	541.08887
ΔH_f, kcal/mol:	-92.27
Dipole, Da:	6.61
IP(EA), eV:	-8.78(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations