Geometry & MOs

Info

ID:

313243

PubChem CID:

126613004

Reduced:

FN2O4C22H23 (1)

Stoich.:

AB2C4D22E23 (1)

Weight, g/mol:

396.150764

ΔHf, kcal/mol:

-169.31

Dipole, Da:

2.82

IP(EA), eV:

 -9.13(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aR)-3-[(Z)-2-thiophen-3-ylethenyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]-3-(2,3-dihydro-1H-inden-5-yl)urea

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2[C@H]1NC(=O)N[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4OC5=CC=C(C=C5)F

DOS

IR

Vibrations