Geometry & MOs

Info

ID:	231977
PubChem CID:	87575046
Reduced:	NO2C11H23 (1)
Stoich.:	AB2C11D23 (1)
Weight, g/mol:	501.22188
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	5.88
IP(EA), eV:	-9.18(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-formamido-4-methylsulfanylbutanoic acid;5-(2-octylsulfinylpropyl)-1,3-benzodioxole

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)N(C(C)C)C(C)C

DOS

IR

Vibrations