Geometry & MOs

Info

ID:

424099

PubChem CID:

135121315

Reduced:

NSO5C15H23 (1)

Stoich.:

ABC5D15E23 (1)

Weight, g/mol:

659.450951

ΔHf, kcal/mol:

-217.25

Dipole, Da:

4.52

IP(EA), eV:

 -9.15(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[4-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butoxy]phenyl]-2-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]butylamino]propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations