Geometry & MOs

Info

ID:	444288
PubChem CID:	135261965
Reduced:	NSO5F6H20C22 (1)
Stoich.:	ABC5D6E20F22 (1)
Weight, g/mol:	525.104463
ΔH_f, kcal/mol:	-437.51
Dipole, Da:	8.54
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.791401
Charge, e:	0

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]ethanesulfinic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)OC3COC3)S(=O)[O-]

DOS

IR

Vibrations