Geometry & MOs

Info

ID:	32456
PubChem CID:	7836414
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-80.43
Dipole, Da:	2.5
IP(EA), eV:	-9.33(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)COC(=O)CSC2=NC3=CC=CC=C3O2

DOS

IR

Vibrations