Geometry & MOs

Info

ID:	425068
PubChem CID:	135125031
Reduced:	NO2F3C15H20 (1)
Stoich.:	AB2C3D15E20 (1)
Weight, g/mol:	475.148967
ΔH_f, kcal/mol:	-253.27
Dipole, Da:	4.9
IP(EA), eV:	-9.87(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)C(CC(C)C)O)NC(=O)C(F)(F)F

DOS

IR

Vibrations