Geometry & MOs

Info

ID:

223002

PubChem CID:

85333798

Reduced:

ClN7O14C36H58 (1)

Stoich.:

AB7C14D36E58 (1)

Weight, g/mol:

865.527304

ΔHf, kcal/mol:

-686.4

Dipole, Da:

7.86

IP(EA), eV:

 -9.62(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[2-[[2-[[2-[[1-(2-amino-4-methylpentanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCN(C(=O)OC(C(C)C)Cl)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C

DOS

IR

Vibrations