Geometry & MOs

Info

ID:	300594
PubChem CID:	123044516
Reduced:	NF2O6H21C27 (1)
Stoich.:	AB2C6D21E27 (1)
Weight, g/mol:	525.074593
ΔH_f, kcal/mol:	-241.59
Dipole, Da:	11.02
IP(EA), eV:	-8.96(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

DOS

IR

Vibrations