Geometry & MOs

Info

ID:

380643

PubChem CID:

134971155

Reduced:

RuCl2N2O2P2C30H30 (1)

Stoich.:

AB2C2D2E2F30G30 (1)

Weight, g/mol:

1515.897421

ΔHf, kcal/mol:

130.96

Dipole, Da:

5.25

IP(EA), eV:

-7.02(-1.38)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (1R,3S,5R,6R,9R,13R,17S,18S,19R,20S,21E,23E,25E,27E,29E,31E,33E,35R,37S,38S,39S)-35-[(2R,3R,4R,5S,6R)-3-acetyloxy-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-6-methyloxan-2-yl]oxy-3,19,39-tris[[tert-butyl(dimethyl)silyl]oxy]-5,6-dihydroxy-1-methoxy-11,11,17,18,20-pentamethyl-15-oxo-10,12,16,41-tetraoxatricyclo[35.3.1.19,13]dotetraconta-21,23,25,27,29,31,33-heptaene-38-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)P)C2=C(C=CC=C2P)OC.C1=CC=C2C3[C@H]([C@H](C(C2=C1)C4=CC=CC=C34)[NH-])[NH-].Cl[Ru+2]Cl

DOS

IR

Vibrations