Geometry & MOs

Info

ID:

215640

PubChem CID:

85085020

Reduced:

O11C28H47 (2)

Stoich.:

A11B28C47 (2)

Weight, g/mol:

1118.69912

ΔHf, kcal/mol:

-1066.07

Dipole, Da:

5.38

IP(EA), eV:

 -9.28(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-hydroxy-3-methylpentanoyl)-methylamino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]-methylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]-methylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C)(CCC=C(C)C)C3CCC4(C3C(CC5C4(CCC6C5(CCC(C6(C)C)OC7C(C(C(C(O7)C)O)O)OC8C(C(C(C(O8)COC(=O)C)O)O)O)C)C)O)C)O)O)O)O)O)O

DOS

IR

Vibrations