Geometry & MOs

Info

ID:	408309
PubChem CID:	135081074
Reduced:	ISC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	67.08
Dipole, Da:	2.11
IP(EA), eV:	-8.79(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R)-2-[[(R)-tert-butylsulfinyl]amino]hept-3-enoic acid

Drug info:

PubChemData

Smile

C=CC/C=C(/SC1=CC=CC=C1)\I

DOS

IR

Vibrations