Geometry & MOs

Info

ID:

309757

PubChem CID:

126557484

Reduced:

OSF5N5C28H28 (1)

Stoich.:

ABC5D5E28F28 (1)

Weight, g/mol:

369.085973

ΔHf, kcal/mol:

-198.2

Dipole, Da:

2.47

IP(EA), eV:

 -9.36(-1.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[5-(3-amino-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl)-6-fluoropyridin-3-yl]-1-fluoroethenyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CC(SC(=N[C@]1(C)C2=C(C=CC(=C2)/C=C(/C3=NC=C(C=C3)C#N)\F)F)N)C(=O)N4CCC(CC4)C(F)(F)F

DOS

IR

Vibrations