Geometry & MOs

Info

ID:	46483
PubChem CID:	10524643
Reduced:	ClO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	394.005161
ΔH_f, kcal/mol:	14.36
Dipole, Da:	4.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.248700
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-1,2-bis(2,3,4,5,6-pentafluorophenyl)ethane-1,2-diol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations