Geometry & MOs

Info

ID:	354441
PubChem CID:	127286885
Reduced:	SO3N4C15H28 (1)
Stoich.:	AB3C4D15E28 (1)
Weight, g/mol:	318.136176
ΔH_f, kcal/mol:	-148.48
Dipole, Da:	4.05
IP(EA), eV:	-8.86(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-methylsulfonylpiperidin-3-yl)-5-oxo-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)N2CCN3CCCCC3C2

DOS

IR

Vibrations