Geometry & MOs

Info

ID:

317869

PubChem CID:

126646648

Reduced:

NSF4O4C34H35 (1)

Stoich.:

ABC4D4E34F35 (1)

Weight, g/mol:

613.192135

ΔHf, kcal/mol:

-295.46

Dipole, Da:

6.63

IP(EA), eV:

 -9.24(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-fluoro-4-[3-[[2-(4-fluorophenyl)-2-methylpropyl]-[[3-(trifluoromethyl)phenyl]methyl]amino]propoxy]-6-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=CC(=CC=C2)C(F)(F)F)CC(C3=CC=CC=C3)C4=CC=CC=C4)F)O

DOS

IR

Vibrations