Geometry & MOs

Info

ID:

317806

PubChem CID:

126645820

Reduced:

NSF4O5C28H29 (1)

Stoich.:

ABC4D5E28F29 (1)

Weight, g/mol:

615.18332

ΔHf, kcal/mol:

-366.06

Dipole, Da:

2.86

IP(EA), eV:

 -9.26(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1CC(=O)O)F)OCCCN(CCC2=CC=CC=C2)CC3=CC(=CC=C3)C(F)(F)F

DOS

IR

Vibrations