Geometry & MOs

Info

ID:	349747
PubChem CID:	127275909
Reduced:	N2O2S3C15H20 (1)
Stoich.:	A2B2C3D15E20 (1)
Weight, g/mol:	378.074171
ΔH_f, kcal/mol:	-58.07
Dipole, Da:	7.93
IP(EA), eV:	-9.26(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]thiane-4-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)S(=O)(=O)NCCC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations