Geometry & MOs

Info

ID:

310190

PubChem CID:

126576411

Reduced:

NF2O4C32H33 (1)

Stoich.:

AB2C4D32E33 (1)

Weight, g/mol:

413.143864

ΔHf, kcal/mol:

-113.59

Dipole, Da:

5.74

IP(EA), eV:

 -9.25(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-[[(2S)-2-phenyloxan-4-yl]methylidene]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C=C/C=C\C=C(/C=C)\[C@H]1C[C@H](C[C@H](O1)/C(=C/C=C)/C=C\C=C)NC(=O)C2(CC2)C3=CC4=C(C=C3)OC(O4)(F)F

DOS

IR

Vibrations