Geometry & MOs

Info

ID:

223197

PubChem CID:

85334667

Reduced:

ClN11O12C67H112 (1)

Stoich.:

AB11C12D67E112 (1)

Weight, g/mol:

1299.822918

ΔHf, kcal/mol:

-454.37

Dipole, Da:

38.2

IP(EA), eV:

 -6.41(-2.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[2-[[2-[[2-[[2-[[2-[2-[[8-(difluoromethoxy)-3-hydroxy-4-methyl-2-(methylamino)-8-oxooct-6-enoyl]amino]butanoyl-methylamino]acetyl]-methylamino]-4-methylpentanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoylamino]propanoyl-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC2=CC=C(C=C2)Cl)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

DOS

IR

Vibrations