Geometry & MOs

Info

ID:	300591
PubChem CID:	123044406
Reduced:	BrClNO5H21C26 (1)
Stoich.:	ABCD5E21F26 (1)
Weight, g/mol:	491.113565
ΔH_f, kcal/mol:	-105.5
Dipole, Da:	9.11
IP(EA), eV:	-8.4(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3E)-1-(3-chlorophenyl)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)Cl)C4=CC=C(C=C4)Br)/O

DOS

IR

Vibrations