Geometry & MOs

Info

ID:	83729
PubChem CID:	49860725
Reduced:	ClOSN2C16H19 (1)
Stoich.:	ABCD2E16F19 (1)
Weight, g/mol:	338.121962
ΔH_f, kcal/mol:	-38.97
Dipole, Da:	6.3
IP(EA), eV:	-8.84(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)NC(=O)[C@H]2CC3=C(CN2)SC4=CC=CC=C34.Cl

DOS

IR

Vibrations