Geometry & MOs

Info

ID:	301155
PubChem CID:	123060498
Reduced:	NO6C32H33 (1)
Stoich.:	AB6C32D33 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-180.19
Dipole, Da:	8.38
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4E)-4-[hydroxy-(3-propoxyphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)C(=O)OCC)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations