Geometry & MOs

Info

ID:	149536
PubChem CID:	53789209
Reduced:	SO2C30H54 (1)
Stoich.:	AB2C30D54 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-185.22
Dipole, Da:	1.37
IP(EA), eV:	-8.33(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[2-(4-methylsulfanylphenyl)-2-oxoethyl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(CCCCCC2CCCO2)SC(CCCCCC3CCCO3)C4CCCC4

DOS

IR

Vibrations