Geometry & MOs

Info

ID:

443594

PubChem CID:

135259427

Reduced:

O3C14H28 (1)

Stoich.:

A3B14C28 (1)

Weight, g/mol:

665.277087

ΔHf, kcal/mol:

-175.46

Dipole, Da:

3.33

IP(EA), eV:

 -9.79(0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[2-[(5-butyl-5-hydroxy-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)oxy]-2-(2-methoxyphenyl)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CCOC(C)(C)COC(C)(C)CC=O

DOS

IR

Vibrations