Geometry & MOs

Info

ID:	425241
PubChem CID:	135125617
Reduced:	ClFION2H5C8 (1)
Stoich.:	ABCDE2F5G8 (1)
Weight, g/mol:	523.124958
ΔH_f, kcal/mol:	-27.47
Dipole, Da:	4.01
IP(EA), eV:	-9.9(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[2,3-difluoro-5-[(Z)-2-fluoro-2-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]pyrazin-2-yl]ethenyl]phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)C(=CI)F)C(=O)N

DOS

IR

Vibrations