Geometry & MOs

Info

ID:	361162
PubChem CID:	127302106
Reduced:	ClN2O3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	344.176979
ΔH_f, kcal/mol:	-113.06
Dipole, Da:	4.06
IP(EA), eV:	-8.88(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[(4-piperidin-1-yloxan-4-yl)methyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NCC3(CCOCC3)N4CCCCC4

DOS

IR

Vibrations