Geometry & MOs

Info

ID:	349004
PubChem CID:	127274730
Reduced:	OSN5C18H23 (1)
Stoich.:	ABC5D18E23 (1)
Weight, g/mol:	395.224263
ΔH_f, kcal/mol:	26.61
Dipole, Da:	3.95
IP(EA), eV:	-8.68(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCN(CC2)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations