Geometry & MOs

Info

ID:	425479
PubChem CID:	135126463
Reduced:	SF2O2N4C21H22 (1)
Stoich.:	AB2C2D4E21F22 (1)
Weight, g/mol:	447.117667
ΔH_f, kcal/mol:	-74.79
Dipole, Da:	1.65
IP(EA), eV:	-8.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-prop-2-ynoxypyrazin-2-yl)ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(O)O)(C)C2=C(C=CC(=C2)C=C(C3=NC=C(C=C3)C#N)F)F)N)C

DOS

IR

Vibrations