Geometry & MOs

Info

ID:	275418
PubChem CID:	103815840
Reduced:	ClFN2C14H20 (1)
Stoich.:	ABC2D14E20 (1)
Weight, g/mol:	246.140199
ΔH_f, kcal/mol:	-44.87
Dipole, Da:	1.37
IP(EA), eV:	-9.01(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(piperidin-3-ylmethyl)-1,4-thiazepane 1,1-dioxide

Drug info:

PubChemData

Smile

CN(CC1CCCNC1)CC2=C(C=C(C=C2)Cl)F

DOS

IR

Vibrations