Geometry & MOs

Info

ID:	56240
PubChem CID:	17422778
Reduced:	BrNO2S2C15H16 (1)
Stoich.:	ABC2D2E15F16 (1)
Weight, g/mol:	379.011905
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	3.21
IP(EA), eV:	-8.52(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-(cyclopropylsulfamoyl)thiophene-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)Br)C(=O)NCCSCC2=CC=CS2

DOS

IR

Vibrations