Geometry & MOs

Info

ID:	300778
PubChem CID:	123054987
Reduced:	BrNO5H22C26 (1)
Stoich.:	ABC5D22E26 (1)
Weight, g/mol:	535.199488
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	11.71
IP(EA), eV:	-8.81(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(3-hydroxyphenyl)-4-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-1-[4-(3-methylphenoxy)phenyl]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)Br)C4=CC(=CC=C4)O)/O

DOS

IR

Vibrations