Geometry & MOs

Info

ID:	344898
PubChem CID:	127268658
Reduced:	SN3O4C13H25 (1)
Stoich.:	AB3C4D13E25 (1)
Weight, g/mol:	398.106706
ΔH_f, kcal/mol:	-180.27
Dipole, Da:	5.35
IP(EA), eV:	-8.89(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[1-(oxan-2-ylmethylsulfonyl)piperidin-4-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)CCNS(=O)(=O)CC2CCCO2

DOS

IR

Vibrations