Geometry & MOs

Info

ID:

168592

PubChem CID:

74991769

Reduced:

NSCl2O8H25C27 (1)

Stoich.:

ABC2D8E25F27 (1)

Weight, g/mol:

1115.64379

ΔHf, kcal/mol:

-249.29

Dipole, Da:

8.54

IP(EA), eV:

 -8.71(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[1-[3-[[2-[5-(aminomethyl)-4-hydroxy-3-methoxyoxolan-2-yl]oxy-1-carboxy-2-[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]ethyl]-dodecylamino]propylamino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-(2-amino-1,4,5,6-tetrahydropyrimidin-6-yl)-2-oxoethyl]carbamoylamino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)OC(=O)C3CCN3S(=O)(=O)C4=CC(=CC(=C4)Cl)Cl

DOS

IR

Vibrations