Geometry & MOs

Info

ID:

392342

PubChem CID:

135014599

Reduced:

O2N5C24H29 (1)

Stoich.:

A2B5C24D29 (1)

Weight, g/mol:

719.367586

ΔHf, kcal/mol:

-30.33

Dipole, Da:

3.02

IP(EA), eV:

 -8.81(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(1R,2S)-2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-1-phenylpropyl] (2R,3R,4E,6E)-8-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,5-dimethylocta-4,6-dienoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@H](C(=O)NC2=CC3=C(C=C2)N=CC=C3)NC(=O)[C@@H](CCCN)N

DOS

IR

Vibrations