Geometry & MOs

Info

ID:

375817

PubChem CID:

134221807

Reduced:

ClO2F4H15C19 (1)

Stoich.:

AB2C4D15E19 (1)

Weight, g/mol:

635.92978

ΔHf, kcal/mol:

-263.56

Dipole, Da:

4.29

IP(EA), eV:

 -9.96(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(3,5-dichloro-4-methylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[2-sulfanylidene-2-(2,2,2-trifluoroethylamino)ethyl]benzenecarbothioamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)O)C)C(F)(F)F

DOS

IR

Vibrations