Geometry & MOs

Info

ID:	83728
PubChem CID:	49860709
Reduced:	ClSN2O2C18H23 (1)
Stoich.:	ABC2D2E18F23 (1)
Weight, g/mol:	322.090662
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	5.51
IP(EA), eV:	-8.79(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)[C@H]2CC3=C(CN2)SC4=CC=CC=C34)O.Cl

DOS

IR

Vibrations