Geometry & MOs

Info

ID:	350451
PubChem CID:	127277813
Reduced:	SN3O3C19H31 (1)
Stoich.:	AB3C3D19E31 (1)
Weight, g/mol:	272.119464
ΔH_f, kcal/mol:	-152.64
Dipole, Da:	4.88
IP(EA), eV:	-9.01(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-hydroxypiperidine-1-carbonyl)-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)C(=O)CCC3CCCC3

DOS

IR

Vibrations