Geometry & MOs

Info

ID:	349070
PubChem CID:	127274796
Reduced:	SN2O3C19H34 (1)
Stoich.:	AB2C3D19E34 (1)
Weight, g/mol:	389.144299
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	7.0
IP(EA), eV:	-9.13(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CC(CC(C1)(C)C)CC(=O)N2CCN(CC2)C3CCS(=O)(=O)C3

DOS

IR

Vibrations