Geometry & MOs

Info

ID:	203168
PubChem CID:	79789545
Reduced:	N3O3C15H19 (1)
Stoich.:	A3B3C15D19 (1)
Weight, g/mol:	321.039497
ΔH_f, kcal/mol:	-96.28
Dipole, Da:	6.12
IP(EA), eV:	-9.25(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-methyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

CCC(C)(C(=O)O)NC(=O)CCN1C=NC2=CC=CC=C21

DOS

IR

Vibrations