Geometry & MOs

Info

ID:	362776
PubChem CID:	127309324
Reduced:	OSN2C13H22 (1)
Stoich.:	ABC2D13E22 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-53.62
Dipole, Da:	2.97
IP(EA), eV:	-8.71(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(thian-4-yl)-8-azabicyclo[3.2.1]octane-8-carboxamide

Drug info:

PubChemData

Smile

C=CC1CCN(CC1)C(=O)NC2CCSCC2

DOS

IR

Vibrations