Geometry & MOs

Info

ID:	32453
PubChem CID:	7836261
Reduced:	SN3O6C19H21 (1)
Stoich.:	AB3C6D19E21 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-205.64
Dipole, Da:	3.81
IP(EA), eV:	-9.16(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)COC(=O)CSC2=NC3=CC=CC=C3O2)C(=O)OCC

DOS

IR

Vibrations