Geometry & MOs

Info

ID:	345045
PubChem CID:	127268805
Reduced:	NSO2C7H13 (2)
Stoich.:	ABC2D7E13 (2)
Weight, g/mol:	392.143964
ΔH_f, kcal/mol:	-187.43
Dipole, Da:	6.19
IP(EA), eV:	-9.01(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohexyl-[4-(1,1-dioxothian-4-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2S(=O)(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations