Geometry & MOs

Info

ID:	327105
PubChem CID:	126689005
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	489.166867
ΔH_f, kcal/mol:	-63.44
Dipole, Da:	1.75
IP(EA), eV:	-8.72(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(cyclohexanecarbonyloxymethoxycarbonylamino)-3-(cyclohexanecarbonyloxymethoxycarbonylsulfanyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OC(=O)C2CCC=CN2

DOS

IR

Vibrations