Geometry & MOs

Info

ID:	300848
PubChem CID:	123055197
Reduced:	ClNO6H26C29 (1)
Stoich.:	ABC6D26E29 (1)
Weight, g/mol:	505.129215
ΔH_f, kcal/mol:	-178.71
Dipole, Da:	9.19
IP(EA), eV:	-9.11(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2C(/C(=C(/C3=CC=C(C=C3)OC(C)C)\O)/C(=O)C2=O)C4=CC(=CC=C4)OC(=O)C

DOS

IR

Vibrations