Geometry & MOs

Info

ID:	301007
PubChem CID:	123059305
Reduced:	ClFNO4H25C28 (1)
Stoich.:	ABCD4E25F28 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-136.22
Dipole, Da:	8.58
IP(EA), eV:	-8.96(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4E)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-2,3-dioxo-5-(4-propan-2-ylphenyl)pyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations