Geometry & MOs

Info

ID:	36882
PubChem CID:	8014226
Reduced:	SN2O4H18C19 (1)
Stoich.:	AB2C4D18E19 (1)
Weight, g/mol:	391.125358
ΔH_f, kcal/mol:	-93.93
Dipole, Da:	9.99
IP(EA), eV:	-9.1(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-methoxy-4-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)C2=C(C=C(C=C2)SC)OC

DOS

IR

Vibrations