Geometry & MOs

Info

ID:	300700
PubChem CID:	123050919
Reduced:	NO4C31H33 (1)
Stoich.:	AB4C31D33 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-106.42
Dipole, Da:	8.83
IP(EA), eV:	-8.58(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-[(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-2,3-dioxo-5-(3-propoxyphenyl)pyrrolidin-1-yl]phenyl]acetate

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(\C3=CC=C(C=C3)C)/O)/C(=O)C2=O)C4=CC(=CC=C4)OCCC

DOS

IR

Vibrations