Geometry & MOs

Info

ID:

159055

PubChem CID:

57260086

Reduced:

NO2C16H25 (1)

Stoich.:

AB2C16D25 (1)

Weight, g/mol:

726.434708

ΔHf, kcal/mol:

-76.02

Dipole, Da:

3.4

IP(EA), eV:

-8.24(0.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[(1S,3S,7S,8S,8aR)-3-[tert-butyl(dimethyl)silyl]oxy-8-[2-[4-[tert-butyl(dimethyl)silyl]oxy-2-oxooxan-3-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 3-methyl-2-phenoxybutanoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCCN2CCCCC2)OC

DOS

IR

Vibrations