Geometry & MOs

Info

ID:

215755

PubChem CID:

85085205

Reduced:

PSSi5N7O13C67H106 (1)

Stoich.:

ABC5D7E13F67G106 (1)

Weight, g/mol:

1433.548604

ΔHf, kcal/mol:

-807.2

Dipole, Da:

9.4

IP(EA), eV:

 -8.82(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoylamino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C(C)(C)C)O[Si](C)(C)C(C)(C)C)OP(=S)(O)OCC7C(C(C(O7)N8CCC(=O)NC8=O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations