Geometry & MOs

Info

ID:	177217
PubChem CID:	76147566
Reduced:	NF2S2O5C15H15 (1)
Stoich.:	AB2C2D5E15F15 (1)
Weight, g/mol:	318.04967
ΔH_f, kcal/mol:	-234.7
Dipole, Da:	9.39
IP(EA), eV:	-9.33(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

C1CN(CC1S(=O)(=O)CC2=CC=CO2)S(=O)(=O)C3=C(C=CC=C3F)F

DOS

IR

Vibrations