Geometry & MOs

Info

ID:	155680
PubChem CID:	56366875
Reduced:	SN3O3C28H31 (1)
Stoich.:	AB3C3D28E31 (1)
Weight, g/mol:	439.156577
ΔH_f, kcal/mol:	-63.07
Dipole, Da:	9.48
IP(EA), eV:	-8.64(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)CNC(=O)C3=CC=C(C=C3)N4CCC5=CC=CC=C5C4

DOS

IR

Vibrations