Geometry & MOs

Info

ID:	300701
PubChem CID:	123050920
Reduced:	NO6H29C30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-175.34
Dipole, Da:	10.49
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(3-propoxyphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)C2/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C(=O)N2C4=CC=C(C=C4)CC(=O)OC

DOS

IR

Vibrations