Geometry & MOs

Info

ID:	124341
PubChem CID:	50879713
Reduced:	ClNO2H14C17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	3.32
IP(EA), eV:	-8.55(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5,7-dimethyl-1,3-benzothiazol-6-yl)butanamide

Drug info:

PubChemData

Smile

C1CC2=CC=C(C3=CC=CC1=C23)N4CC(CC4=O)C(=O)Cl

DOS

IR

Vibrations