Geometry & MOs

Info

ID:	300914
PubChem CID:	123055393
Reduced:	BrNO4H26C28 (1)
Stoich.:	ABC4D26E28 (1)
Weight, g/mol:	541.246438
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	9.18
IP(EA), eV:	-8.68(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-[(4E)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)C(C)C)/O

DOS

IR

Vibrations