Geometry & MOs

Info

ID:	83727
PubChem CID:	49860702
Reduced:	ClOSN2C18H23 (1)
Stoich.:	ABCD2E18F23 (1)
Weight, g/mol:	366.116877
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	4.84
IP(EA), eV:	-8.71(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@H]2CC3=C(CN2)SC4=CC=CC=C34.Cl

DOS

IR

Vibrations