Geometry & MOs

Info

ID:	39711
PubChem CID:	8142015
Reduced:	ClOSN2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	341.015639
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	5.97
IP(EA), eV:	-9.0(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dichloro-N-[(6R)-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)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations