Geometry & MOs

Info

ID:	303813
PubChem CID:	124490209
Reduced:	ClH13C16 (1)
Stoich.:	AB13C16 (1)
Weight, g/mol:	267.1293
ΔH_f, kcal/mol:	35.78
Dipole, Da:	1.89
IP(EA), eV:	-9.14(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-amino-3-benzylsulfanylpropanoate

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H]([C@H](C3=CC=CC=C31)C4=CC=CC=C24)Cl

DOS

IR

Vibrations