Geometry & MOs

Info

ID:	157463
PubChem CID:	56430318
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	398.164185
ΔH_f, kcal/mol:	-140.82
Dipole, Da:	3.66
IP(EA), eV:	-8.93(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(4-methylphenyl)propanoylamino]ethyl 3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CCC(=O)NCCOC(=O)C2=C(C=CO2)COC3=CC=CC=C3

DOS

IR

Vibrations