Geometry & MOs

Info

ID:

317772

PubChem CID:

126645724

Reduced:

NSO4F6C29H31 (1)

Stoich.:

ABC4D6E29F31 (1)

Weight, g/mol:

655.182473

ΔHf, kcal/mol:

-425.41

Dipole, Da:

6.86

IP(EA), eV:

 -9.22(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[3-[2-(methoxymethyl)-5-methylphenyl]-4-oxo-1,3-thiazolidin-2-ylidene]-3-[3-methoxy-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methylamino]phenyl]urea

Drug info:

PubChemData

Smile

CC(CN(CCCOC1=CC(=C(C(=C1)S(=O)(=O)C)CCO)F)CC2=C(C(=CC=C2)C(F)(F)F)F)C3=CC=C(C=C3)F

DOS

IR

Vibrations