Geometry & MOs

Info

ID:	300593
PubChem CID:	123044494
Reduced:	BrNO6H22C27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	493.133694
ΔH_f, kcal/mol:	-146.22
Dipole, Da:	8.24
IP(EA), eV:	-8.82(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3E)-1-(3,4-difluorophenyl)-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)Br)C4=CC=C(C=C4)OC(=O)C)/O

DOS

IR

Vibrations