Geometry & MOs

Info

ID:	378507
PubChem CID:	134224593
Reduced:	ClN2O3F6C26H35 (1)
Stoich.:	AB2C3D6E26F35 (1)
Weight, g/mol:	500.210976
ΔH_f, kcal/mol:	-487.24
Dipole, Da:	3.14
IP(EA), eV:	-9.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(12,12-dihydroxydodecyl)-5-[(2,2,2-trifluoroacetyl)amino]phenyl]-2,2,2-trifluoroacetamide

Drug info:

PubChemData

Smile

C1CCCCCCCC(CCCCCC1)(C2=CC(=CC(=C2)NC(=O)C(F)(F)F)NC(=O)C(F)(F)F)C(O)Cl

DOS

IR

Vibrations