Geometry & MOs

Info

ID:	214221
PubChem CID:	84974688
Reduced:	BrN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	349.109627
ΔH_f, kcal/mol:	-61.83
Dipole, Da:	7.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.785519
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)C[NH+](C)CC2CCCCO2

DOS

IR

Vibrations