Geometry & MOs

Info

ID:

229276

PubChem CID:

87567309

Reduced:

N2O2F7H21C25 (1)

Stoich.:

A2B2C7D21E25 (1)

Weight, g/mol:

1037.71002

ΔHf, kcal/mol:

-384.59

Dipole, Da:

8.85

IP(EA), eV:

 -9.72(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

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-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-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)N)N[C@H](CCC2=CC=C(C=C2)C(F)(F)F)C3=CC(=C(C=C3)F)OC(F)(F)F

DOS

IR

Vibrations