Geometry & MOs

Info

ID:

310153

PubChem CID:

126575694

Reduced:

N3O4C14H15 (1)

Stoich.:

A3B4C14D15 (1)

Weight, g/mol:

1162.794083

ΔHf, kcal/mol:

-12.69

Dipole, Da:

3.94

IP(EA), eV:

-9.32(-0.84)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[acetyl(methyl)amino]ethyl (2S)-2-[[(E,2S,3R,4R)-3-acetyloxy-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-4-methylpentanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-4-methyloct-6-enoyl]amino]butanoate

Drug info:

PubChemData

Smile

CC(C)OC1=CC=CC(=C1COC2=NN(C=C2)O)OC#N

DOS

IR

Vibrations