Geometry & MOs

Info

ID:	139246
PubChem CID:	52497592
Reduced:	N2S2O3C19H28 (1)
Stoich.:	A2B2C3D19E28 (1)
Weight, g/mol:	396.154135
ΔH_f, kcal/mol:	-119.92
Dipole, Da:	7.3
IP(EA), eV:	-9.04(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[(3R)-1-thiophen-2-ylsulfonylpiperidin-3-yl]methanone

Drug info:

PubChemData

Smile

C1CC[C@H]2[C@H](C1)CCCN2C(=O)[C@H]3CCCN(C3)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations