Geometry & MOs

Info

ID:	356390
PubChem CID:	127291463
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-163.93
Dipole, Da:	3.05
IP(EA), eV:	-9.01(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CSCC2C(=O)N3CCN(CC3)C(=O)C4CCCO4

DOS

IR

Vibrations