Geometry & MOs

Info

ID:	300592
PubChem CID:	123044485
Reduced:	ClNO6H22C27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	535.06305
ΔH_f, kcal/mol:	-159.56
Dipole, Da:	9.62
IP(EA), eV:	-8.93(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3Z)-1-(4-bromophenyl)-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(=CC=C3)Cl)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations