Geometry & MOs

Info

ID:	63578
PubChem CID:	26758667
Reduced:	FNO4C22H22 (1)
Stoich.:	ABC4D22E22 (1)
Weight, g/mol:	348.11215
ΔH_f, kcal/mol:	-187.01
Dipole, Da:	1.61
IP(EA), eV:	-8.6(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC2=C(CCC2)C=C1)OC(=O)CCC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations