Geometry & MOs

Info

ID:

437707

PubChem CID:

135226872

Reduced:

BrSN2O2C14H17 (1)

Stoich.:

ABC2D2E14F17 (1)

Weight, g/mol:

624.460119

ΔHf, kcal/mol:

10.56

Dipole, Da:

2.57

IP(EA), eV:

 -9.49(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[1-[2-(1-hydroxy-2-methylprop-2-enoxy)-2-methyl-3,5-di(propan-2-yloxy)cyclohexyl]-2-methylpropan-2-yl]oxy-1-methyl-4-[(2-methylpropan-2-yl)oxy]cyclohexyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=N)(=O)C1=CC(=C(C=C1)OCC2CC2)Br

DOS

IR

Vibrations