Geometry & MOs

Info

ID:	444355
PubChem CID:	135262184
Reduced:	F2O2N7C24H25 (1)
Stoich.:	A2B2C7D24E25 (1)
Weight, g/mol:	541.099378
ΔH_f, kcal/mol:	-64.83
Dipole, Da:	6.37
IP(EA), eV:	-8.99(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-[1,1,1,3,3,3-hexafluoro-2-(2-methoxy-2-oxoethoxy)propan-2-yl]anilino]-2-oxoethyl]phenyl]ethanesulfinic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCCNC(=O)C1=C(C=CN=C1)NC2=NC(=NN3C2=CC=C3)C4=NC(=CC=C4)C(F)F

DOS

IR

Vibrations