Geometry & MOs

Info

ID:	48887
PubChem CID:	11528439
Reduced:	NO2C10H11 (1)
Stoich.:	AB2C10D11 (1)
Weight, g/mol:	177.08235
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	6.39
IP(EA), eV:	-9.92(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(ethylamino)-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

C1COC(=O)N[C@H]1C2=CC=CC=C2

DOS

IR

Vibrations