Geometry & MOs

Info

ID:	139623
PubChem CID:	52572183
Reduced:	SN2O6C23H26 (1)
Stoich.:	AB2C6D23E26 (1)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-217.1
Dipole, Da:	5.3
IP(EA), eV:	-9.16(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1S)-2-[3-(2,3-dimethylphenoxy)propanoylamino]-1-phenylethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)N2CCC(=CC2)C3=CC=C(C=C3)O

DOS

IR

Vibrations