Geometry & MOs

Info

ID:

310211

PubChem CID:

126576804

Reduced:

SN2F3O3C27H27 (1)

Stoich.:

AB2C3D3E27F27 (1)

Weight, g/mol:

509.304228

ΔHf, kcal/mol:

-205.82

Dipole, Da:

4.44

IP(EA), eV:

 -8.8(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S,3aS,6aS)-2-[5-[4-(6-methyl-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)phenyl]-1H-imidazol-2-yl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H](C1)C2=NC=C(N2)C3=CC=C(C=C3)C4=C5C6CCC(C6)C5=C(C=C4)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations