Geometry & MOs

Info

ID:

16420

PubChem CID:

467885

Reduced:

FN9O17C37H56 (1)

Stoich.:

AB9C17D37E56 (1)

Weight, g/mol:

917.37782

ΔHf, kcal/mol:

-730.86

Dipole, Da:

8.6

IP(EA), eV:

 -9.23(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3S,4R,5R)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S)-2-[[4-[4-[3,5-bis[4-[acetyl(hydroxy)amino]butyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]butyl-hydroxyamino]-4-oxobutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=C(C(=O)NC2=O)F)O)O)NC(=O)CCC(=O)N(CCCCN3C(=O)N(C(=O)N(C3=O)CCCCN(C(=O)C)O)CCCCN(C(=O)C)O)O

DOS

IR

Vibrations