Geometry & MOs

Info

ID:

317831

PubChem CID:

126646273

Reduced:

SN2F4O4C30H34 (1)

Stoich.:

AB2C4D4E30F34 (1)

Weight, g/mol:

629.19897

ΔHf, kcal/mol:

-324.12

Dipole, Da:

7.92

IP(EA), eV:

 -9.33(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-(2-methyl-2-phenylpropyl)amino]propoxy]-2-fluoro-6-methylsulfonylphenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(CN(CCCOC1=CC(=C(C=C1)CNC(=O)C)S(=O)(=O)C)CC2=C(C(=CC=C2)C(F)(F)F)F)C3=CC=CC=C3

DOS

IR

Vibrations