Geometry & MOs

Info

ID:

159032

PubChem CID:

57244602

Reduced:

FN3O4H10C15 (1)

Stoich.:

AB3C4D10E15 (1)

Weight, g/mol:

586.186848

ΔHf, kcal/mol:

14.46

Dipole, Da:

9.08

IP(EA), eV:

 -9.35(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[2-[(R)-(4-chlorophenyl)-[3-(3,5-difluorophenyl)-2-methylidene-3-methylsulfonylazetidin-1-yl]methyl]-5-(methoxymethyl)phenyl]methyl]pyrrolidine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)N2C=CC3=CC(=C(C=C32)OF)[N+](=O)[O-]

DOS

IR

Vibrations