Geometry & MOs

Info

ID:	39712
PubChem CID:	8142018
Reduced:	OSCl2N3H13C14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	341.015639
ΔH_f, kcal/mol:	-1.97
Dipole, Da:	5.46
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations