Geometry & MOs

Info

ID:	360856
PubChem CID:	127301510
Reduced:	SN3O4C15H25 (1)
Stoich.:	AB3C4D15E25 (1)
Weight, g/mol:	395.070655
ΔH_f, kcal/mol:	-122.37
Dipole, Da:	4.54
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-[1-[(3-methyl-1,2-oxazol-5-yl)methylsulfonyl]piperidin-4-yl]-1,3-benzoxazole

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)N2CCC(CC2)CN3CCOCC3

DOS

IR

Vibrations