Geometry & MOs

Info

ID:	237669
PubChem CID:	92720553
Reduced:	FNO5H18C22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	395.116901
ΔH_f, kcal/mol:	-172.12
Dipole, Da:	4.52
IP(EA), eV:	-9.16(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 5-(4-fluorophenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)C2=CC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations