Geometry & MOs

Info

ID:

317830

PubChem CID:

126646271

Reduced:

NSF5O5H26C27 (1)

Stoich.:

ABC5D5E26F27 (1)

Weight, g/mol:

594.217541

ΔHf, kcal/mol:

-395.03

Dipole, Da:

7.32

IP(EA), eV:

 -9.52(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1S(=O)(=O)C)OCCCN(CC2=CC=C(C=C2)F)CC3=CC(=CC=C3)C(F)(F)F)F

DOS

IR

Vibrations