Geometry & MOs

Info

ID:

313265

PubChem CID:

126613175

Reduced:

FN2O5C26H31 (1)

Stoich.:

AB2C5D26E31 (1)

Weight, g/mol:

422.091198

ΔHf, kcal/mol:

-218.41

Dipole, Da:

6.44

IP(EA), eV:

 -9.02(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-(2-thiophen-3-ylethynyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-[3-(trifluoromethyl)phenyl]urea

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)NC(=O)N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3OC4=CC=C(C=C4)F)OCC5=CC=CC=C5

DOS

IR

Vibrations