Geometry & MOs

Info

ID:	226633
PubChem CID:	87550942
Reduced:	OH12C14 (1)
Stoich.:	AB12C14 (1)
Weight, g/mol:	535.21951
ΔH_f, kcal/mol:	39.19
Dipole, Da:	2.03
IP(EA), eV:	-9.47(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyano-3-[2-[3-[1-[3-fluoro-4-(4-fluorophenyl)phenyl]ethyl]-6-(4-fluorophenyl)-2-oxo-1,3-oxazinan-6-yl]ethyl]-2-methylguanidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2C(O2)C3=CC=CC=C3

DOS

IR

Vibrations