Geometry & MOs

Info

ID:	140509
PubChem CID:	52712445
Reduced:	ClSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	323.1919
ΔH_f, kcal/mol:	-159.0
Dipole, Da:	1.58
IP(EA), eV:	-8.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-butylsulfanyl-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]propanamide

Drug info:

PubChemData

Smile

CCCCS[C@H](C)C(=O)OCC1=CC2=C(C(=C1)Cl)OCO2

DOS

IR

Vibrations