Geometry & MOs

Info

ID:

425313

PubChem CID:

135125905

Reduced:

SO2F3N7H20C21 (1)

Stoich.:

AB2C3D7E20F21 (1)

Weight, g/mol:

491.135129

ΔHf, kcal/mol:

-43.12

Dipole, Da:

5.38

IP(EA), eV:

 -8.62(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2,3-difluoro-5-[2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1=NOC(=N1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C(=C3)F)F)[C@@]4(CSN(C(=N4)N)C)C)/F

DOS

IR

Vibrations