Geometry & MOs

Info

ID:	78098
PubChem CID:	49681663
Reduced:	F2S2N3O3H19C21 (1)
Stoich.:	A2B2C3D3E19F21 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-91.62
Dipole, Da:	4.79
IP(EA), eV:	-9.3(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-[methyl(propan-2-yl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

DOS

IR

Vibrations