Geometry & MOs

Info

ID:

47618

PubChem CID:

10534534

Reduced:

SO17C86H94 (1)

Stoich.:

AB17C86D94 (1)

Weight, g/mol:

1431.813266

ΔHf, kcal/mol:

-428.8

Dipole, Da:

8.93

IP(EA), eV:

 -8.64(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,3R,5R,7R,8R,9S)-2-[(1S,3S,4S,5S,6S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-4,6-dimethyloct-7-enyl]-7-[tert-butyl(dimethyl)silyl]oxy-9-[(E)-3-[2-[3-[[(2R,3S,4S)-4-(dimethylamino)-2,3-dihydroxy-5-methoxypentanoyl]amino]propyl]-1,3-oxazol-4-yl]prop-2-enyl]-4,4,8-trimethyl-1,10-dioxaspiro[4.5]decan-3-yl] bis[(4-methoxyphenyl)methyl] phosphate

Drug info:

PubChemData

Smile

CCS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC(=CC=C2)CO[C@H]3[C@H](O[C@@H]([C@@H]([C@H]3OCC4=CC=C(C=C4)OC)OCC5=CC=CC=C5)OC)COCC6=CC=CC=C6)O[C@@H]7[C@@H]([C@H]([C@H]8[C@H](O7)CO[C@H](O8)C9=CC=CC=C9)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations