Geometry & MOs

Info

ID:

224504

PubChem CID:

85344046

Reduced:

NO13C42H57 (1)

Stoich.:

AB13C42D57 (1)

Weight, g/mol:

784.49456

ΔHf, kcal/mol:

-494.8

Dipole, Da:

14.78

IP(EA), eV:

 -8.83(-2.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[6-[2-[tert-butyl(dimethyl)silyl]oxy-4-[6-(3-hydroxypentan-2-yl)-5-methyl-2-(2,4,6-trimethylphenyl)-1,3-dioxan-4-yl]pentan-2-yl]-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)C3(C(CC4C(C3C5C(C2(C)C)(CC1OC(=O)C(C(NC(=O)CCCCCCCCCC(=O)O5)C6=CC=CC=C6)O)O)(CO4)OC(=O)C)O)C)O

DOS

IR

Vibrations