Geometry & MOs

Info

ID:	357702
PubChem CID:	127294376
Reduced:	N2S3O4C13H26 (1)
Stoich.:	A2B3C4D13E26 (1)
Weight, g/mol:	371.10072
ΔH_f, kcal/mol:	-193.81
Dipole, Da:	5.11
IP(EA), eV:	-8.57(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-thiomorpholin-4-ylsulfonylethyl)azepane-1-sulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CS(=O)(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations