Geometry & MOs

Info

ID:	445853
PubChem CID:	135269805
Reduced:	ON2H10C15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	554.211153
ΔH_f, kcal/mol:	84.55
Dipole, Da:	5.23
IP(EA), eV:	-9.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-butan-2-ylsulfonylphenyl)-3-[5-[(1R)-6-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]cyclohexa-2,4-dien-1-yl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC=C(C=C2)OC#N)C#N

DOS

IR

Vibrations