Geometry & MOs

Info

ID:

44919

PubChem CID:

10506527

Reduced:

SN2O4C31H40 (1)

Stoich.:

AB2C4D31E40 (1)

Weight, g/mol:

536.371713

ΔHf, kcal/mol:

-111.59

Dipole, Da:

5.7

IP(EA), eV:

 -8.59(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,3R,4R,7S,8R)-4-butyl-2,7-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1,6-dimethyl-11-oxatricyclo[6.2.1.02,7]undeca-5,9-dien-3-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CC2=CC=C(S2)CCCCC(=O)N3CCN(CC3)CC4=C(C(=C(C=C4)OC)OC)OC

DOS

IR

Vibrations