Geometry & MOs

Info

ID:	197882
PubChem CID:	79010867
Reduced:	NSO3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-132.92
Dipole, Da:	7.13
IP(EA), eV:	-9.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-(4-phenylsulfanylbutanoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)N[C@H](C(C)C)C(=O)O

DOS

IR

Vibrations