Geometry & MOs

Info

ID:	196540
PubChem CID:	78846152
Reduced:	FSN2O3C20H21 (1)
Stoich.:	ABC2D3E20F21 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-106.11
Dipole, Da:	3.6
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxopentyl 3-phenylbutanoate

Drug info:

PubChemData

Smile

COCCN(C1=NC2=CC=CC=C2S1)C(=O)CCCOC3=CC=C(C=C3)F

DOS

IR

Vibrations