Geometry & MOs

Info

ID:	309264
PubChem CID:	126541383
Reduced:	I2N2O5C9H12 (1)
Stoich.:	A2B2C5D9E12 (1)
Weight, g/mol:	340.117155
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	4.58
IP(EA), eV:	-9.71(-2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@@H](O[C@@H]1COC(=O)N)COC(=O)N=C(I)I

DOS

IR

Vibrations