Geometry & MOs

Info

ID:	278994
PubChem CID:	103840342
Reduced:	ON2C14H26 (1)
Stoich.:	AB2C14D26 (1)
Weight, g/mol:	274.135114
ΔH_f, kcal/mol:	-71.78
Dipole, Da:	3.39
IP(EA), eV:	-8.79(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-(4-methylpiperidin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1(CCC1)CNC(=O)C2(CCNCC2)C

DOS

IR

Vibrations