Geometry & MOs

Info

ID:	361488
PubChem CID:	127303633
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	289.109627
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	6.29
IP(EA), eV:	-9.83(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-3,3-dimethylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1(C(=O)NCCN1C(=O)C2=NOC3=C2CCCC3)C

DOS

IR

Vibrations