Geometry & MOs

Info

ID:

425282

PubChem CID:

135125799

Reduced:

SF3O3N5H22C24 (1)

Stoich.:

AB3C3D5E22F24 (1)

Weight, g/mol:

423.063523

ΔHf, kcal/mol:

-149.96

Dipole, Da:

7.21

IP(EA), eV:

 -8.7(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC=CC(=C2)C(F)(F)F)C#CC3=CN=C(S3)NC(=O)N(C)CCOC

DOS

IR

Vibrations