Geometry & MOs

Info

ID:

151188

PubChem CID:

53790888

Reduced:

SN2O2C15H15 (1)

Stoich.:

AB2C2D15E15 (1)

Weight, g/mol:

329.880974

ΔHf, kcal/mol:

21.55

Dipole, Da:

4.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.933045

Charge, e:

 0

Chem-info

IUPAC name:

[2,3,4,6-tetrachloro-5-(trifluoromethoxy)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OC)SC2=CC=CC=C2[N+]#N)OC

DOS

IR

Vibrations