Geometry & MOs

Info

ID:	300663
PubChem CID:	123050707
Reduced:	ClNO5H22C27 (1)
Stoich.:	ABC5D22E27 (1)
Weight, g/mol:	463.123129
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	9.36
IP(EA), eV:	-8.94(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3E)-1-(2,5-difluorophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-4,5-dioxopyrrolidin-2-yl]phenyl] acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations