Geometry & MOs

Info

ID:	194885
PubChem CID:	78603105
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	363.234434
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	4.73
IP(EA), eV:	-8.77(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-5-methyl-3-(2-piperazine-1,4-diium-1-ylethyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CC1CN(CC2=NN(C(=C2)C)C)C(=O)C3=CC4=CC=CC=C4S3

DOS

IR

Vibrations