Geometry & MOs

Info

ID:	35973
PubChem CID:	7980585
Reduced:	SN2O5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	314.088912
ΔH_f, kcal/mol:	-131.4
Dipole, Da:	9.52
IP(EA), eV:	-9.23(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-(4-fluoro-2-methylphenyl)propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

DOS

IR

Vibrations