Geometry & MOs

Info

ID:	447500
PubChem CID:	135283383
Reduced:	ClS2O3N4H19C23 (1)
Stoich.:	AB2C3D4E19F23 (1)
Weight, g/mol:	751.02132
ΔH_f, kcal/mol:	25.32
Dipole, Da:	5.27
IP(EA), eV:	-8.95(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-benzyl-3-(5-bromo-2-chlorophenyl)sulfanylpyrrolidine-2,4-dione;5-benzyl-3-(2-nitrophenyl)sulfanylpyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SC2=C(N(NC2=O)C(C3=CC=C(C=C3)/C=C/C(=O)NN)C4=CSC=C4)O)Cl

DOS

IR

Vibrations