Geometry & MOs

Info

ID:	61350
PubChem CID:	26708437
Reduced:	SO2N3H23C25 (1)
Stoich.:	AB2C3D23E25 (1)
Weight, g/mol:	382.03429
ΔH_f, kcal/mol:	-5.22
Dipole, Da:	6.53
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzothiazol-2-yl)phenyl]-4-chloro-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=NC(=CS3)C4=CC5=C(CCC5)C=C4

DOS

IR

Vibrations