Geometry & MOs

Info

ID:	206343
PubChem CID:	80234063
Reduced:	BrN2S2O3C12H15 (1)
Stoich.:	AB2C2D3E12F15 (1)
Weight, g/mol:	391.93225
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	4.93
IP(EA), eV:	-9.24(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NC2=CC(=NO2)C(C)(C)C

DOS

IR

Vibrations