Geometry & MOs

Info

ID:

313252

PubChem CID:

126613073

Reduced:

N3O6C22H25 (1)

Stoich.:

A3B6C22D25 (1)

Weight, g/mol:

429.187541

ΔHf, kcal/mol:

-185.17

Dipole, Da:

5.69

IP(EA), eV:

 -9.08(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[2-(trifluoromethyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NCC4=C5C(=CC=C4)OCCO5

DOS

IR

Vibrations