Geometry & MOs

Info

ID:	317856
PubChem CID:	126646511
Reduced:	NSF4O5C28H29 (1)
Stoich.:	ABC4D5E28F29 (1)
Weight, g/mol:	557.16592
ΔH_f, kcal/mol:	-349.54
Dipole, Da:	4.31
IP(EA), eV:	-9.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(4-fluorophenyl)methyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-2-methylsulfonylphenyl]ethanol

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)OCCCN(CCC2=CC=CC=C2)CC3=C(C(=CC=C3)C(F)(F)F)F)S(=O)(=O)C

DOS

IR

Vibrations