Geometry & MOs

Info

ID:

309084

PubChem CID:

126536494

Reduced:

ClO2N4C14H25 (1)

Stoich.:

AB2C4D14E25 (1)

Weight, g/mol:

758.247677

ΔHf, kcal/mol:

-91.91

Dipole, Da:

4.0

IP(EA), eV:

 -8.76(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1R)-2-bicyclo[2.2.1]heptanyl]-3,3,3-trifluoro-2-[[5-[3,3,3-trifluoro-2-hydroxy-1-(2-methylprop-2-enoyloxy)-2-(trifluoromethyl)propyl]-2-adamantyl]oxy]-2-(trifluoromethyl)propyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC[C@H]1C2=CNNC(N2C)Cl

DOS

IR

Vibrations