Geometry & MOs

Info

ID:	243510
PubChem CID:	99225525
Reduced:	SO3N4C24H26 (1)
Stoich.:	AB3C4D24E26 (1)
Weight, g/mol:	398.231791
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	3.47
IP(EA), eV:	-8.51(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-cyclopentyl-2-[3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CCNC(=O)C2=CC(=C(S2)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations