Geometry & MOs

Info

ID:

383127

PubChem CID:

134974683

Reduced:

Br2O3C11H14 (1)

Stoich.:

A2B3C11D14 (1)

Weight, g/mol:

692.389701

ΔHf, kcal/mol:

-115.38

Dipole, Da:

6.14

IP(EA), eV:

-9.02(-0.45)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(1S,2R,4S,5S,6S,9S,12R,14R)-12-[tert-butyl(diphenyl)silyl]oxy-14-methoxy-6,9-dimethyl-4-phenylmethoxy-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-3-one

Drug info:

PubChemData

Smile

CCOC(=O)C12CCC(=C1OC(C2)CBr)Br

DOS

IR

Vibrations