Geometry & MOs

Info

ID:	350476
PubChem CID:	127277838
Reduced:	SN3O3C15H25 (1)
Stoich.:	AB3C3D15E25 (1)
Weight, g/mol:	378.183795
ΔH_f, kcal/mol:	-153.38
Dipole, Da:	1.4
IP(EA), eV:	-9.41(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-propanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCCC(=O)N2CCCCC2

DOS

IR

Vibrations