Geometry & MOs

Info

ID:

425324

PubChem CID:

135125934

Reduced:

SF2O3N5C25H25 (1)

Stoich.:

AB2C3D5E25F25 (1)

Weight, g/mol:

480.164283

ΔHf, kcal/mol:

-94.32

Dipole, Da:

6.89

IP(EA), eV:

 -9.49(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-[(Z)-2-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxypropan-1-ol

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC4=CC=NC=C4)F)F)N)C

DOS

IR

Vibrations