Geometry & MOs

Info

ID:

79898

PubChem CID:

49831110

Reduced:

Cl2O11C12H16 (1)

Stoich.:

A2B11C12D16 (1)

Weight, g/mol:

703.077857

ΔHf, kcal/mol:

-502.3

Dipole, Da:

7.79

IP(EA), eV:

 -11.05(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide;2-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1H-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC(C(=O)O)(OC(C)(C(=O)O)OC(C)(C(=O)O)Cl)OC(C)(C(=O)O)Cl

DOS

IR

Vibrations