Geometry & MOs

Info

ID:

393361

PubChem CID:

135020318

Reduced:

BrO5H21C25 (1)

Stoich.:

AB5C21D25 (1)

Weight, g/mol:

596.15936

ΔHf, kcal/mol:

-120.85

Dipole, Da:

5.62

IP(EA), eV:

 -9.63(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,6aR,12aR,12bR)-12a-bromo-4-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)-2,3,4,6,6a,12b-hexahydronaphtho[2,3-h]chromene-7,12-dione

Drug info:

PubChemData

Smile

C1C=C2[C@H]([C@@]3([C@H]1C(=O)C4=CC=CC=C4C3=O)Br)OC(CC2=O)COCC5=CC=CC=C5

DOS

IR

Vibrations