Geometry & MOs

Info

ID:	10770
PubChem CID:	107816
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	6.67
IP(EA), eV:	-9.14(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-acetamido-3-benzylsulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations