Geometry & MOs

Info

ID:	30582
PubChem CID:	841535
Reduced:	O3N4H12C13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	346.054277
ΔH_f, kcal/mol:	25.16
Dipole, Da:	7.09
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)C(=O)CN3C=C(C=N3)[N+](=O)[O-]

DOS

IR

Vibrations