Geometry & MOs

Info

ID:	237035
PubChem CID:	92717031
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	357.174022
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	5.01
IP(EA), eV:	-8.62(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-fluorophenyl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)N[C@H](C)C3=CC=CC=C3OC

DOS

IR

Vibrations