Geometry & MOs

Info

ID:	344801
PubChem CID:	127268439
Reduced:	O2S2N3C16H27 (1)
Stoich.:	A2B2C3D16E27 (1)
Weight, g/mol:	337.04425
ΔH_f, kcal/mol:	-79.41
Dipole, Da:	5.12
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CN2CCN(CC2)S(=O)(=O)CC3CCCCC3

DOS

IR

Vibrations