Geometry & MOs

Info

ID:	363664
PubChem CID:	127312370
Reduced:	SN3O3C17H25 (1)
Stoich.:	AB3C3D17E25 (1)
Weight, g/mol:	320.155849
ΔH_f, kcal/mol:	-121.46
Dipole, Da:	3.26
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-cyclopentyloxypyridin-3-yl)methyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NC=CC(=C2)CNC(=O)C3CCS(=O)(=O)CC3

DOS

IR

Vibrations