Geometry & MOs

Info

ID:

317854

PubChem CID:

126646504

Reduced:

ClSN2F4O4C29H31 (1)

Stoich.:

ABC2D4E4F29G31 (1)

Weight, g/mol:

626.155924

ΔHf, kcal/mol:

-333.7

Dipole, Da:

8.56

IP(EA), eV:

 -9.25(-1.22)

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-[4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(C=C(C=C1)OCCCN(CCC2=CC=C(C=C2)F)CC3=C(C(=CC=C3)C(F)(F)F)Cl)S(=O)(=O)C

DOS

IR

Vibrations