Geometry & MOs

Info

ID:

159098

PubChem CID:

57260153

Reduced:

ClSN2F5O5H14C23 (1)

Stoich.:

ABC2D5E5F14G23 (1)

Weight, g/mol:

572.171198

ΔHf, kcal/mol:

-372.55

Dipole, Da:

11.79

IP(EA), eV:

 -9.24(-1.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(R)-(4-chlorophenyl)-[3-(3,5-difluorophenyl)-2-methylidene-3-methylsulfonylazetidin-1-yl]methyl]-3-(pyrrolidin-1-ylmethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CN(C(=O)C1=C(C=CC=C1F)F)C(=O)N(C2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)Cl)SC(=O)O

DOS

IR

Vibrations