Geometry & MOs

Info

ID:	412883
PubChem CID:	135085817
Reduced:	O3C12H22 (1)
Stoich.:	A3B12C22 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-179.62
Dipole, Da:	3.68
IP(EA), eV:	-10.17(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(methoxycarbonylamino)-3-methylsulfanylpropanoate

Drug info:

PubChemData

Smile

CCCCCCC(CC(=O)C)OC(=O)C

DOS

IR

Vibrations