Geometry & MOs

Info

ID:	37953
PubChem CID:	8025856
Reduced:	SO3N4C19H28 (1)
Stoich.:	AB3C4D19E28 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-94.94
Dipole, Da:	4.57
IP(EA), eV:	-9.43(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-(3-acetylphenoxy)acetate

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)CN1C(=C(C(=N1)C)S(=O)(=O)N(C)C)C)C2=CC=CC=C2

DOS

IR

Vibrations