Geometry & MOs

Info

ID:

229437

PubChem CID:

87567649

Reduced:

O7C8H16 (1)

Stoich.:

A7B8C16 (1)

Weight, g/mol:

1470.922752

ΔHf, kcal/mol:

-330.89

Dipole, Da:

7.5

IP(EA), eV:

-10.48(0.02)

Spin(Sz, S2):

None, None

Charge, e:

-1

Chem-info

IUPAC name:

(2S,3R)-2-[[(E,2S,3R,4R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]propanoyl]-methylamino]-3-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-hydroxy-4-methyloct-6-enoyl]amino]-3-hydroxybutanoate

Drug info:

PubChemData

Smile

CC(CO)O.COC(CC(=O)O)C(=O)O

DOS

IR

Vibrations