Geometry & MOs

Info

ID:

324224

PubChem CID:

126677183

Reduced:

SO3F4N6H24C28 (1)

Stoich.:

AB3C4D6E24F28 (1)

Weight, g/mol:

638.228695

ΔHf, kcal/mol:

-205.88

Dipole, Da:

3.43

IP(EA), eV:

 -8.92(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy-[3-methyl-4-[2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]ethyl]anilino]methyl]imino-3-(5-methyl-2-propan-2-ylphenyl)-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N\2C(=O)CS/C2=N\C(NC3=CC=C(C=C3)CCC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F)O

DOS

IR

Vibrations