Geometry & MOs

Info

ID:

47346

PubChem CID:

10531706

Reduced:

NSiO4C36H65 (1)

Stoich.:

ABC4D36E65 (1)

Weight, g/mol:

603.318747

ΔHf, kcal/mol:

-223.92

Dipole, Da:

2.89

IP(EA), eV:

 -8.53(-0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2R)-3-(2-chloro-1H-indol-3-yl)-2-[[(2S)-2-[[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]amino]hexanoyl]amino]propanoyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCN(CCCCCCCC)C[C@H](COC1=CC=CC=C1OC[C@H](CC#C[Si](CC)(CC)CC)O)O

DOS

IR

Vibrations