Geometry & MOs

Info

ID:	174555
PubChem CID:	75783335
Reduced:	NO2C13H17 (2)
Stoich.:	AB2C13D17 (2)
Weight, g/mol:	388.149501
ΔH_f, kcal/mol:	-158.46
Dipole, Da:	3.27
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-1-thiophen-2-ylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCCCN1C2=C(C=CC(=C2)NC(=O)C(C)OC3=C(C=CC(=C3)C)C(C)C)OC(C1=O)C

DOS

IR

Vibrations