Geometry & MOs

Info

ID:	141012
PubChem CID:	52800981
Reduced:	SO2N3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	7.14
Dipole, Da:	7.15
IP(EA), eV:	-8.87(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-[(2-phenoxyacetyl)amino]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N[C@H](C2=CC=CC=C2)C3=NC4=CC=CC=C4N3C)C

DOS

IR

Vibrations