Geometry & MOs

Info

ID:	27489
PubChem CID:	821601
Reduced:	SN2O2C11H12 (1)
Stoich.:	AB2C2D11E12 (1)
Weight, g/mol:	282.082684
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	3.57
IP(EA), eV:	-9.1(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3,4-dimethylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC2=NCCS2

DOS

IR

Vibrations