Geometry & MOs

Info

ID:

177259

PubChem CID:

76155387

Reduced:

ON5H7C10 (3)

Stoich.:

AB5C7D10 (3)

Weight, g/mol:

1000.457523

ΔHf, kcal/mol:

324.19

Dipole, Da:

6.89

IP(EA), eV:

 -10.02(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-acetamido-5-[3-acetamido-5-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-2-(4-methylphenyl)sulfanyl-6-(phenylmethoxymethyl)oxan-4-yl]oxypropanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C=NN2C=NN=C2)OC3=NC(=NC(=N3)OC4=CC=C(C=C4)C=NN5C=NN=C5)OC6=CC=C(C=C6)C=NN7C=NN=C7

DOS

IR

Vibrations