Geometry & MOs

Info

ID:	324084
PubChem CID:	126676897
Reduced:	N2O6C11H21 (2)
Stoich.:	A2B6C11D21 (2)
Weight, g/mol:	338.13789
ΔH_f, kcal/mol:	-558.7
Dipole, Da:	7.64
IP(EA), eV:	-9.55(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclobutyl]-5-phenyl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1C(C([C@@H](O1)OC2[C@@H](C(C[C@H](C2O)NC(=O)[C@H](CCN)O)N)O[C@@H]3C(C([C@@H](C(O3)CO)O)O)N)O)O

DOS

IR

Vibrations