Geometry & MOs

Info

ID:	132529
PubChem CID:	51375378
Reduced:	ClON5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	382.120996
ΔH_f, kcal/mol:	106.87
Dipole, Da:	9.01
IP(EA), eV:	-9.4(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-1-benzyl-2-(2-chlorophenyl)-3-(2,2-dimethylpropanoyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC3=NN=NN3[C@@H](C2)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations