Geometry & MOs

Info

ID:	28150
PubChem CID:	825858
Reduced:	O4H18C19 (1)
Stoich.:	A4B18C19 (1)
Weight, g/mol:	296.098334
ΔH_f, kcal/mol:	-128.97
Dipole, Da:	0.96
IP(EA), eV:	-10.0(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylbenzamide

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations