Geometry & MOs

Info

ID:	79207
PubChem CID:	49747416
Reduced:	S2N4O4C17H22 (1)
Stoich.:	A2B4C4D17E22 (1)
Weight, g/mol:	435.092263
ΔH_f, kcal/mol:	-101.77
Dipole, Da:	1.66
IP(EA), eV:	-9.44(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-N-[2-(1-thiophen-2-ylsulfonylpiperidin-2-yl)ethyl]-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NCCC2CCCCN2S(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations