Geometry & MOs

Info

ID:

397906

PubChem CID:

135030943

Reduced:

NO9C31H45 (1)

Stoich.:

AB9C31D45 (1)

Weight, g/mol:

397.264835

ΔHf, kcal/mol:

-369.5

Dipole, Da:

9.99

IP(EA), eV:

 -9.23(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-5-methyl-7-(4-prop-1-en-2-yl-1,3-oxazol-2-yl)heptan-1-ol

Drug info:

PubChemData

Smile

C[C@H]1/C=C/C(=O)O[C@H](C([C@H](CC(CCC2=NC(=CO2)/C(=C/C1O)/C)C)OC)O)/C=C(\C)/C/C=C\C[C@@](C)(C(=O)O)O

DOS

IR

Vibrations