Geometry & MOs

Info

ID:

47434

PubChem CID:

10532650

Reduced:

N2Si3O6C35H60 (1)

Stoich.:

A2B3C6D35E60 (1)

Weight, g/mol:

689.472749

ΔHf, kcal/mol:

-433.54

Dipole, Da:

6.13

IP(EA), eV:

 -8.7(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R)-N-[(2S)-1-[[(2S,3R)-3-hydroxy-1-[methyl-[(2S)-3-methyl-1-[(2S)-2-[(2S)-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-N,2,4-trimethyloctanamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]([C@H]([C@]2(O1)[C@H](CC3=CC(=O)NC(=O)N23)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations