Geometry & MOs

Info

ID:	214601
PubChem CID:	85083259
Reduced:	SN2O5C31H44 (1)
Stoich.:	AB2C5D31E44 (1)
Weight, g/mol:	557.117486
ΔH_f, kcal/mol:	-141.19
Dipole, Da:	4.67
IP(EA), eV:	-9.15(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-3-[(4-phosphonooxyphenyl)methyl]-4-[1-[3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl]ethylamino]butanoic acid

Drug info:

PubChemData

Smile

COCCOCOC1CC(N(S(=O)(=O)N(C(C1)CC2=CC=CC=C2)CC3CC3)CC4CC4)CC5=CC=CC=C5

DOS

IR

Vibrations