Geometry & MOs

Info

ID:

391638

PubChem CID:

135007434

Reduced:

NOSC24H39 (1)

Stoich.:

ABCD24E39 (1)

Weight, g/mol:

648.23292

ΔHf, kcal/mol:

-34.22

Dipole, Da:

4.0

IP(EA), eV:

-8.35(0.66)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (2E,4E,7S,8R,9Z,11E)-10-bromo-8-[tert-butyl(dimethyl)silyl]oxy-13-hydroxy-7-[(2S,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxytrideca-2,4,9,11-tetraenoate

Drug info:

PubChemData

Smile

CCCCCC[C@@](CC)(C=C)[C@H](/C=C/C1=CC=CC=C1)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations