Geometry & MOs

Info

ID:	317843
PubChem CID:	126646386
Reduced:	SN2O3F5C25H31 (1)
Stoich.:	AB2C3D5E25F31 (1)
Weight, g/mol:	597.192742
ΔH_f, kcal/mol:	-354.21
Dipole, Da:	3.7
IP(EA), eV:	-9.33(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2-methyl-2-phenylpropyl)amino]propoxy]-2-methylsulfonylphenyl]ethanol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)OCCCN(CCC2=CC=C(C=C2)F)CC3=C(C(=CC=C3)C(F)(F)F)F

DOS

IR

Vibrations