Geometry & MOs

Info

ID:	425374
PubChem CID:	135126091
Reduced:	ClN2O2H7C8 (1)
Stoich.:	AB2C2D7E8 (1)
Weight, g/mol:	481.159532
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	1.29
IP(EA), eV:	-9.82(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC(=NC=C2COC1=O)Cl

DOS

IR

Vibrations