Geometry & MOs

Info

ID:

48743

PubChem CID:

11528286

Reduced:

OSiC48H56 (2)

Stoich.:

ABC48D56 (2)

Weight, g/mol:

1384.916993

ΔHf, kcal/mol:

470.6

Dipole, Da:

26.72

IP(EA), eV:

 -6.63(-2.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4R)-4-[[(3R)-3-[[(3S)-3-[[(3S,4R)-4-[[(3S)-3-[[(3R)-3-[[(3S)-3-[[(3R)-3-[[(3S,4R)-4-[[(3R)-3-[[(1S,2S)-2-[[(1S,2S)-2-aminocyclopentanecarbonyl]amino]cyclopentanecarbonyl]amino]-4-methylpentanoyl]amino]pyrrolidine-3-carbonyl]amino]-4-methylpentanoyl]amino]-5-methylhexanoyl]amino]-4-hydroxybutanoyl]amino]-5-methylhexanoyl]amino]pyrrolidine-3-carbonyl]amino]-5-methylhexanoyl]amino]-4-hydroxybutanoyl]amino]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=C1)C#CC2=C(C=C3C=C4C(=CC3=C2)C(C5=CC6=CC(=C(C=C6C=C5C4(C#C[Si](C)(C)C)O)C#CC7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C#CC8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)(C#C[Si](C)(C)C)O)C#CC9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations