Geometry & MOs

Info

ID:

85137

PubChem CID:

49872032

Reduced:

SN2O5H14C20 (1)

Stoich.:

AB2C5D14E20 (1)

Weight, g/mol:

1020.523162

ΔHf, kcal/mol:

-100.94

Dipole, Da:

5.9

IP(EA), eV:

 -8.97(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S)-4-amino-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[6-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-[1-(8-phenyloctyl)imidazol-2-yl]propanoyl]amino]propanoyl]amino]-4-oxobutan-2-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=C(C=C1)/C=C\2/C(=O)N3C4=CC=CC=C4N=C3S2)OC(=O)C

DOS

IR

Vibrations