Geometry & MOs

Info

ID:	139153
PubChem CID:	52483204
Reduced:	SN2O5C19H28 (1)
Stoich.:	AB2C5D19E28 (1)
Weight, g/mol:	412.14345
ΔH_f, kcal/mol:	-202.18
Dipole, Da:	7.88
IP(EA), eV:	-9.48(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-acetyl-2,4,6-trimethylphenyl)methyl 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate

Drug info:

PubChemData

Smile

C[C@@H]1CCCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)OCC(=O)N(C)C(C)C

DOS

IR

Vibrations