Geometry & MOs

Info

ID:

311401

PubChem CID:

126591489

Reduced:

ClO2F3N4H18C20 (1)

Stoich.:

AB2C3D4E18F20 (1)

Weight, g/mol:

404.14601

ΔHf, kcal/mol:

-165.09

Dipole, Da:

3.13

IP(EA), eV:

 -8.83(-1.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R,5R)-6-amino-5,5'-difluoro-5-(fluoromethyl)spiro[3,4-dihydropyridine-2,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-5-methoxypyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(C[C@@]2(COC[C@@]2(N=C1N)C3=C(C=CC(=C3)NC(=O)C4=NC=C(C=C4)Cl)F)F)F

DOS

IR

Vibrations