Geometry & MOs

Info

ID:

215678

PubChem CID:

85085071

Reduced:

N3O8C30H55 (2)

Stoich.:

A3B8C30D55 (2)

Weight, g/mol:

1171.533881

ΔHf, kcal/mol:

-891.27

Dipole, Da:

6.58

IP(EA), eV:

 -9.51(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-methyl-3-sulfanylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-[[1-[[1-[[1-(1-carboxyethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

DOS

IR

Vibrations