Geometry & MOs

Info

ID:	15775
PubChem CID:	450313
Reduced:	NSO2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-66.5
Dipole, Da:	2.86
IP(EA), eV:	-9.03(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-3-benzylsulfanylpropanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations