Geometry & MOs

Info

ID:

59800

PubChem CID:

24897723

Reduced:

NO5C26H31 (1)

Stoich.:

AB5C26D31 (1)

Weight, g/mol:

658.919152

ΔHf, kcal/mol:

-139.12

Dipole, Da:

3.81

IP(EA), eV:

 -8.33(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-4-[[(E)-1-[4-(3,4-dichlorophenyl)-3-(2,2,2-trifluoroethylsulfonyloxy)thiophen-2-yl]ethylideneamino]carbamothioylamino]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC[C@@H]1COC2=CC=C(C=C2)OCC#CC3=CC=C(C=C3)CO

DOS

IR

Vibrations