Geometry & MOs

Info

ID:

425102

PubChem CID:

135125174

Reduced:

ClSO2F3N4H18C19 (1)

Stoich.:

ABC2D3E4F18G19 (1)

Weight, g/mol:

531.15003

ΔHf, kcal/mol:

-133.66

Dipole, Da:

5.4

IP(EA), eV:

 -9.8(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8R)-8-[2-fluoro-5-[(Z)-2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-5,8-dimethyl-4,4-dioxo-4lambda6-thia-5,7-diazaspiro[2.5]oct-6-en-6-amine

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(CF)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)Cl)F)F)N)C

DOS

IR

Vibrations