Geometry & MOs

Info

ID:	38917
PubChem CID:	8138156
Reduced:	SO3N4C12H12 (1)
Stoich.:	AB3C4D12E12 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-46.34
Dipole, Da:	3.13
IP(EA), eV:	-9.32(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CNC(=O)C2=CC=CS2

DOS

IR

Vibrations