Geometry & MOs

Info

ID:	366792
PubChem CID:	127320329
Reduced:	S2N3O3C13H21 (1)
Stoich.:	A2B3C3D13E21 (1)
Weight, g/mol:	273.049336
ΔH_f, kcal/mol:	-95.69
Dipole, Da:	5.21
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxolan-3-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)C3CCOC3

DOS

IR

Vibrations