Geometry & MOs

Info

ID:	38915
PubChem CID:	8138154
Reduced:	SN4O5C18H22 (1)
Stoich.:	AB4C5D18E22 (1)
Weight, g/mol:	381.194008
ΔH_f, kcal/mol:	-138.42
Dipole, Da:	4.83
IP(EA), eV:	-9.56(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)NNC(=O)C3=CC=CN3

DOS

IR

Vibrations