Geometry & MOs

Info

ID:	349056
PubChem CID:	127274782
Reduced:	SN3O3C20H35 (1)
Stoich.:	AB3C3D20E35 (1)
Weight, g/mol:	368.134068
ΔH_f, kcal/mol:	-182.07
Dipole, Da:	5.23
IP(EA), eV:	-8.9(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)CSCC3CCCCO3

DOS

IR

Vibrations