Geometry & MOs

Info

ID:	39699
PubChem CID:	8141979
Reduced:	ClSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-15.31
Dipole, Da:	4.05
IP(EA), eV:	-8.78(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6R)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=N2)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

DOS

IR

Vibrations