Geometry & MOs

Info

ID:

229249

PubChem CID:

87567267

Reduced:

NO4C8H15 (1)

Stoich.:

AB4C8D15 (1)

Weight, g/mol:

1320.875802

ΔHf, kcal/mol:

-202.42

Dipole, Da:

6.86

IP(EA), eV:

-10.4(0.08)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

2-[[(2S,3R)-3-hydroxy-2-[[(E,2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[(2S)-4-methyl-2-[[(2S)-4-methyl-2-[methyl-[(2R)-2-[[(2S)-2-[[(2S)-4-methyl-2-[methyl-[(2S)-4-methyl-2-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]propanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoyl]amino]oct-6-enoyl]amino]butanoyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)NC(=O)CCO

DOS

IR

Vibrations