Geometry & MOs

Info

ID:

51455

PubChem CID:

12014125

Reduced:

NSO6C29H35 (1)

Stoich.:

ABC6D29E35 (1)

Weight, g/mol:

539.234159

ΔHf, kcal/mol:

-209.7

Dipole, Da:

4.7

IP(EA), eV:

 -9.31(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropyl] (2S,3R,4R)-3-hydroxy-2,4-dimethyl-5-phenylmethoxypentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)COC(=O)[C@@H](C)[C@@H]([C@@H](C)OCC3=CC=CC=C3)O

DOS

IR

Vibrations