Geometry & MOs

Info

ID:	424098
PubChem CID:	135121313
Reduced:	NS2O7C19H31 (1)
Stoich.:	AB2C7D19E31 (1)
Weight, g/mol:	329.129694
ΔH_f, kcal/mol:	-311.45
Dipole, Da:	4.99
IP(EA), eV:	-9.1(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)CCCC)C(=O)OCC

DOS

IR

Vibrations