Geometry & MOs

Info

ID:	223777
PubChem CID:	85335557
Reduced:	Cl2O3N4H26C29 (1)
Stoich.:	A2B3C4D26E29 (1)
Weight, g/mol:	549.155019
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	3.57
IP(EA), eV:	-8.55(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[(3,4-dimethylphenyl)methoxy]-N-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]anilino]-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)N2C(=CC(=C3C=CC(=CC3=O)NC(=O)C4=C(C=CC=C4Cl)Cl)N2)C5CCC5

DOS

IR

Vibrations