Geometry & MOs

Info

ID:

380168

PubChem CID:

134970517

Reduced:

BrO7H23C27 (1)

Stoich.:

AB7C23D27 (1)

Weight, g/mol:

1100.528593

ΔHf, kcal/mol:

-205.63

Dipole, Da:

4.09

IP(EA), eV:

 -10.07(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,6R)-3,4,5-tribenzoyloxy-6-[(6R,7S,9S,13S,15R,16R)-5',7,9,13-tetramethyl-15-phenylmethoxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-2-yl]methyl benzoate

Drug info:

PubChemData

Smile

CC1[C@@H](C(C([C@@H](O1)Br)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations