Geometry & MOs

Info

ID:	142904
PubChem CID:	53112368
Reduced:	BrN2S2O3C18H21 (1)
Stoich.:	AB2C2D3E18F21 (1)
Weight, g/mol:	451.06942
ΔH_f, kcal/mol:	-79.31
Dipole, Da:	7.13
IP(EA), eV:	-9.51(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-6-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]sulfonyl-1,3-benzothiazol-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)C2=CC=C(S2)CNC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations