Geometry & MOs

Info

ID:	238653
PubChem CID:	92764881
Reduced:	O2N3C17H23 (1)
Stoich.:	A2B3C17D23 (1)
Weight, g/mol:	417.127776
ΔH_f, kcal/mol:	1.05
Dipole, Da:	1.78
IP(EA), eV:	-8.98(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CN([C@H](CN1CC2=NOC=C2)CCO)CC3=CC=CC=C3

DOS

IR

Vibrations