Geometry & MOs

Info

ID:	388050
PubChem CID:	134987971
Reduced:	IO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	225.08235
ΔH_f, kcal/mol:	-99.85
Dipole, Da:	3.22
IP(EA), eV:	-9.66(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-2-benzyl-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CCC(C(C)C)(C(=O)OC)I

DOS

IR

Vibrations