Geometry & MOs

Info

ID:

313246

PubChem CID:

126613015

Reduced:

N3O4C21H31 (1)

Stoich.:

A3B4C21D31 (1)

Weight, g/mol:

420.23727

ΔHf, kcal/mol:

-171.11

Dipole, Da:

5.96

IP(EA), eV:

 -8.77(0.03)

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-methyl-1-morpholin-4-ylpropan-2-yl)urea

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=N1)C)O[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)NC4CCCCC4

DOS

IR

Vibrations