Geometry & MOs

Info

ID:	28548
PubChem CID:	828305
Reduced:	NOC10H10 (2)
Stoich.:	ABC10D10 (2)
Weight, g/mol:	312.093249
ΔH_f, kcal/mol:	4.83
Dipole, Da:	2.49
IP(EA), eV:	-9.49(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2(C1)C[C@@H]2C(=O)NNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations