Geometry & MOs

Info

ID:	27658
PubChem CID:	822873
Reduced:	FN2O3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	268.067034
ΔH_f, kcal/mol:	-52.24
Dipole, Da:	5.74
IP(EA), eV:	-9.29(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations