Geometry & MOs

Info

ID:	141561
PubChem CID:	52893895
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	428.176979
ΔH_f, kcal/mol:	-83.53
Dipole, Da:	4.65
IP(EA), eV:	-8.36(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[4-(4-benzylpiperidin-1-yl)sulfonylphenyl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@H](C)C(=O)NC1=NC(=CS1)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations