Geometry & MOs

Info

ID:

124885

PubChem CID:

50901347

Reduced:

N3O7C38H41 (1)

Stoich.:

A3B7C38D41 (1)

Weight, g/mol:

1050.740679

ΔHf, kcal/mol:

-127.59

Dipole, Da:

1.54

IP(EA), eV:

 -9.27(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2E,4E,6E,8R,9R,10E,12E,17R,19S)-20-[(2S,3R,4S,5S,6R)-6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxypropyl]-2-methoxy-3,5-dimethyl-4-triethylsilyloxyoxan-2-yl]-9-hydroxy-17-methoxy-2,4,6,8,12-pentamethyl-19-triethylsilyloxyicosa-2,4,6,10,12-pentaenoate

Drug info:

PubChemData

Smile

CCOC(=O)C[C@]1([C@@H]([C@H]([C@H]([C@H](O1)COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=[N+]=[N-]

DOS

IR

Vibrations