Geometry & MOs

Info

ID:	140230
PubChem CID:	52666736
Reduced:	BrSN3O4C19H22 (1)
Stoich.:	ABC3D4E19F22 (1)
Weight, g/mol:	317.02704
ΔH_f, kcal/mol:	-151.31
Dipole, Da:	4.55
IP(EA), eV:	-9.1(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-5-fluoro-2-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)SCC(=O)N2CCN(CC2)C(=O)CN3C(=O)CCC3=O

DOS

IR

Vibrations