Geometry & MOs

Info

ID:	300798
PubChem CID:	123055045
Reduced:	NO6C32H35 (1)
Stoich.:	AB6C32D35 (1)
Weight, g/mol:	547.235873
ΔH_f, kcal/mol:	-176.07
Dipole, Da:	5.41
IP(EA), eV:	-7.89(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C(=O)N2C4=CC(=C(C=C4)OCC)OCC

DOS

IR

Vibrations