Geometry & MOs

Info

ID:	122876
PubChem CID:	50825008
Reduced:	SN4O4C25H28 (1)
Stoich.:	AB4C4D25E28 (1)
Weight, g/mol:	470.162391
ΔH_f, kcal/mol:	-47.15
Dipole, Da:	5.68
IP(EA), eV:	-8.63(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C4=NOC(=N4)C5CC5

DOS

IR

Vibrations