Geometry & MOs

Info

ID:	350514
PubChem CID:	127277876
Reduced:	SO2N3C15H27 (1)
Stoich.:	AB2C3D15E27 (1)
Weight, g/mol:	353.152161
ΔH_f, kcal/mol:	-111.4
Dipole, Da:	4.39
IP(EA), eV:	-8.6(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1,3-thiazolidin-3-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CSCC1C(=O)NCCC2CCN(CC2)C

DOS

IR

Vibrations