Geometry & MOs

Info

ID:	55476
PubChem CID:	17395439
Reduced:	SN3O3H17C18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	322.10842
ΔH_f, kcal/mol:	-30.57
Dipole, Da:	5.95
IP(EA), eV:	-8.92(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-benzoxazol-2-one

Drug info:

PubChemData

Smile

COC(=O)CNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

DOS

IR

Vibrations