Geometry & MOs

Info

ID:

426412

PubChem CID:

135143929

Reduced:

SF3N3O3C20H20 (1)

Stoich.:

AB3C3D3E20F20 (1)

Weight, g/mol:

477.139465

ΔHf, kcal/mol:

-238.84

Dipole, Da:

7.04

IP(EA), eV:

 -8.46(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethanimidoyl 2-[5-[(Z)-2-[3-(3-amino-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxyethanimidate

Drug info:

PubChemData

Smile

COC(=O)C1CCCN1SC2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations