Geometry & MOs

Info

ID:	121381
PubChem CID:	50765732
Reduced:	F3N3O3C20H24 (1)
Stoich.:	A3B3C3D20E24 (1)
Weight, g/mol:	439.066048
ΔH_f, kcal/mol:	-212.58
Dipole, Da:	4.64
IP(EA), eV:	-9.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(benzenesulfonamido)-1,3-benzothiazol-6-yl]-2-phenoxyacetamide

Drug info:

PubChemData

Smile

CN(CCC1=NOC(=N1)COC2=CC=CC(=C2)C(F)(F)F)C(=O)C3CCCCC3

DOS

IR

Vibrations