Geometry & MOs

Info

ID:	39710
PubChem CID:	8142012
Reduced:	ClSN3O3H14C15 (1)
Stoich.:	ABC3D3E14F15 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	5.54
IP(EA), eV:	-9.15(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations