Geometry & MOs

Info

ID:	425266
PubChem CID:	135125727
Reduced:	FIN2H4C8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	480.164283
ΔH_f, kcal/mol:	57.98
Dipole, Da:	2.19
IP(EA), eV:	-9.75(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(Z)-2-[3-[(3R)-5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-1-fluoroethenyl]pyrazin-2-yl]oxypropan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=NC=C1C#N)C(=CI)F

DOS

IR

Vibrations