Geometry & MOs

Info

ID:	444427
PubChem CID:	135262368
Reduced:	FO2N6C21H21 (1)
Stoich.:	AB2C6D21E21 (1)
Weight, g/mol:	496.101723
ΔH_f, kcal/mol:	3.78
Dipole, Da:	2.18
IP(EA), eV:	-9.04(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[2-[4-(2-ethoxy-1,1,1,3,3,3-hexafluoropropan-2-yl)anilino]-2-oxoethyl]phenyl]ethanesulfinate

Drug info:

PubChemData

Smile

COC1=CC=CC(=N1)C2=NN3C=C(C=C3C(=N2)NC4=C(C=NC=C4)F)CCCCO

DOS

IR

Vibrations