Geometry & MOs

Info

ID:

317861

PubChem CID:

126646534

Reduced:

ClNSF4O5C28H28 (1)

Stoich.:

ABCD4E5F28G28 (1)

Weight, g/mol:

642.194219

ΔHf, kcal/mol:

-374.93

Dipole, Da:

4.39

IP(EA), eV:

 -9.5(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations