Geometry & MOs

Info

ID:	350407
PubChem CID:	127277769
Reduced:	ClO2S2N3C17H22 (1)
Stoich.:	AB2C2D3E17F22 (1)
Weight, g/mol:	389.177313
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	3.17
IP(EA), eV:	-8.59(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[2-(2-methylphenyl)acetyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NC2=C(C=CC(=C2)Cl)N3CCSCC3

DOS

IR

Vibrations