Geometry & MOs

Info

ID:	123257
PubChem CID:	50839749
Reduced:	SO2N4H12C13 (1)
Stoich.:	AB2C4D12E13 (1)
Weight, g/mol:	410.042871
ΔH_f, kcal/mol:	-10.08
Dipole, Da:	4.36
IP(EA), eV:	-8.53(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylsulfonyl-1,3-benzothiazol-6-yl)-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC3=C2N=CN=C3SCC(=O)N

DOS

IR

Vibrations