Geometry & MOs

Info

ID:	385640
PubChem CID:	134979613
Reduced:	SC10H18 (1)
Stoich.:	AB10C18 (1)
Weight, g/mol:	259.141973
ΔH_f, kcal/mol:	-2.55
Dipole, Da:	0.79
IP(EA), eV:	-8.19(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC=C/C=C\SCC

DOS

IR

Vibrations