Geometry & MOs

Info

ID:	300835
PubChem CID:	123055158
Reduced:	ClNO6H26C29 (1)
Stoich.:	ABC6D26E29 (1)
Weight, g/mol:	515.194402
ΔH_f, kcal/mol:	-179.61
Dipole, Da:	8.63
IP(EA), eV:	-9.05(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-1-(4-ethoxyphenyl)-3-[hydroxy-(4-propan-2-yloxyphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC=C(C=C4)OC(=O)C

DOS

IR

Vibrations