Geometry & MOs

Info

ID:	444287
PubChem CID:	135261964
Reduced:	SN4O6C20H20 (1)
Stoich.:	AB4C6D20E20 (1)
Weight, g/mol:	524.096638
ΔH_f, kcal/mol:	-164.77
Dipole, Da:	6.71
IP(EA), eV:	-9.29(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(oxetan-3-yloxy)propan-2-yl]anilino]-2-oxoethyl]phenyl]ethanesulfinate

Drug info:

PubChemData

Smile

CS(=O)(=O)OCCCCCOC1=CC2=CC(=CN=C2C=C1)N3C=C(C(=O)NC3=O)C#N

DOS

IR

Vibrations