Geometry & MOs

Info

ID:	300657
PubChem CID:	123050651
Reduced:	NO5H23C30 (1)
Stoich.:	AB5C23D30 (1)
Weight, g/mol:	485.183838
ΔH_f, kcal/mol:	-92.73
Dipole, Da:	6.71
IP(EA), eV:	-8.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)OC(=O)C)/O

DOS

IR

Vibrations