Geometry & MOs

Info

ID:	425421
PubChem CID:	135126283
Reduced:	BrFSO2N3C13H15 (1)
Stoich.:	ABCD2E3F13G15 (1)
Weight, g/mol:	518.154781
ΔH_f, kcal/mol:	-63.12
Dipole, Da:	2.59
IP(EA), eV:	-9.7(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-fluoro-5-[2-fluoro-2-[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-5-amine

Drug info:

PubChemData

Smile

C[C@]1(C2(CC2)S(=O)(=O)N(C(=N1)N)C)C3=C(C=CC(=C3)Br)F

DOS

IR

Vibrations