Geometry & MOs

Info

ID:	83730
PubChem CID:	49860728
Reduced:	ClOSN2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	402.153262
ΔH_f, kcal/mol:	-64.69
Dipole, Da:	3.66
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-(1-adamantyl)-1,2,3,4-tetrahydro-[1]benzothiolo[2,3-c]pyridine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C)(C)CNC(=O)[C@H]1CC2=C(CN1)SC3=CC=CC=C23.Cl

DOS

IR

Vibrations