Geometry & MOs

Info

ID:	301047
PubChem CID:	123059624
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	543.262088
ΔH_f, kcal/mol:	-181.97
Dipole, Da:	10.41
IP(EA), eV:	-8.91(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-butoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-propoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(C)COC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)O)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations