Geometry & MOs

Info

ID:	300951
PubChem CID:	123058729
Reduced:	NO5H29C30 (1)
Stoich.:	AB5C29D30 (1)
Weight, g/mol:	469.188923
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	5.19
IP(EA), eV:	-9.11(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations