Geometry & MOs

Info

ID:	79191
PubChem CID:	49747331
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	10.37
IP(EA), eV:	-9.08(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C3=CC4=C(C=C3)N=CN4

DOS

IR

Vibrations