Geometry & MOs

Info

ID:	426324
PubChem CID:	135143419
Reduced:	SF2O4N6C22H24 (1)
Stoich.:	AB2C4D6E22F24 (1)
Weight, g/mol:	422.122418
ΔH_f, kcal/mol:	-106.88
Dipole, Da:	5.65
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-5-[(Z)-2-fluoro-2-(5-methoxypyrazin-2-yl)ethenyl]phenyl]-N'-methyl-1,1-dioxothiolane-2-carboximidamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)COC2=NC=C(N=C2)/C(=C/C3=CC(=C(C=C3)F)CCCC(C(=N)N)S(=O)(=O)C)/F

DOS

IR

Vibrations