Geometry & MOs

Info

ID:

425181

PubChem CID:

135125451

Reduced:

ClN2O3C28H31 (1)

Stoich.:

AB2C3D28E31 (1)

Weight, g/mol:

451.06813

ΔHf, kcal/mol:

-120.96

Dipole, Da:

6.42

IP(EA), eV:

 -8.98(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(Z)-2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-1-fluoroethenyl]-5-chloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=CC2=C1C=CC(=C2)C3=CC4=C(C=C3)OC5(CC4)CCN(CC5)C(=O)[C@H]6CCCO6.Cl

DOS

IR

Vibrations