Geometry & MOs

Info

ID:	350435
PubChem CID:	127277797
Reduced:	SO3N4C18H30 (1)
Stoich.:	AB3C4D18E30 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-140.92
Dipole, Da:	3.91
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations