Geometry & MOs

Info

ID:	425245
PubChem CID:	135125636
Reduced:	OF4H6C9 (1)
Stoich.:	AB4C6D9 (1)
Weight, g/mol:	513.164617
ΔH_f, kcal/mol:	-202.94
Dipole, Da:	2.01
IP(EA), eV:	-9.92(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-(5-phenylmethoxypyrazin-2-yl)ethenyl]pyridin-3-yl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C=CC1=C(C=C(C=C1F)OC(F)F)F

DOS

IR

Vibrations