Geometry & MOs

Info

ID:	79479
PubChem CID:	49759525
Reduced:	N2O6C27H32 (1)
Stoich.:	A2B6C27D32 (1)
Weight, g/mol:	289.04425
ΔH_f, kcal/mol:	-244.84
Dipole, Da:	5.88
IP(EA), eV:	-9.05(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H](C1)[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations