Geometry & MOs

Info

ID:	348967
PubChem CID:	127274693
Reduced:	SN3O3C19H33 (1)
Stoich.:	AB3C3D19E33 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-157.61
Dipole, Da:	4.87
IP(EA), eV:	-8.9(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]butan-1-one

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCN(CC2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations