Geometry & MOs

Info

ID:	345131
PubChem CID:	127268891
Reduced:	NO2S2C12H23 (1)
Stoich.:	AB2C2D12E23 (1)
Weight, g/mol:	359.086115
ΔH_f, kcal/mol:	-116.5
Dipole, Da:	2.71
IP(EA), eV:	-8.62(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)thiane-4-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NC2CCSCC2

DOS

IR

Vibrations