Geometry & MOs

Info

ID:	341916
PubChem CID:	127264609
Reduced:	ClNSO4C17H20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	333.103479
ΔH_f, kcal/mol:	-158.07
Dipole, Da:	4.95
IP(EA), eV:	-9.78(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2R)-2-amino-3-(3-methylsulfonylphenyl)propanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1)C[C@H](C(=O)OCC2=CC=CC=C2)N.Cl

DOS

IR

Vibrations