Geometry & MOs

Info

ID:

47557

PubChem CID:

10534338

Reduced:

SiO8C75H106 (1)

Stoich.:

AB8C75D106 (1)

Weight, g/mol:

1174.6306

ΔHf, kcal/mol:

-242.9

Dipole, Da:

5.58

IP(EA), eV:

-7.65(-0.82)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-5-[[(2S,3R)-1-[[(2S)-1-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCOC1=CC(=C(C=C1)OCCC(C)C)C#CC2=CC(=C(C=C2OCCC(C)C)C#CC3=CC(=C(C=C3OCCC(C)C)C#CC4=CC(=C(C=C4OCCC(C)C)C#C[Si](C)(C)C)OCCC(C)C)OCCC(C)C)OCCC(C)C

DOS

IR

Vibrations