Geometry & MOs

Info

ID:	300845
PubChem CID:	123055190
Reduced:	NCl2O6H23C28 (1)
Stoich.:	AB2C6D23E28 (1)
Weight, g/mol:	527.230788
ΔH_f, kcal/mol:	-182.27
Dipole, Da:	9.91
IP(EA), eV:	-9.12(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=CC(=C3)Cl)Cl)C4=CC(=CC=C4)OC(=O)C)/O

DOS

IR

Vibrations