Geometry & MOs

Info

ID:

317765

PubChem CID:

126645708

Reduced:

ClFN2O4H12C16 (1)

Stoich.:

ABC2D4E12F16 (1)

Weight, g/mol:

659.132936

ΔHf, kcal/mol:

-126.67

Dipole, Da:

3.02

IP(EA), eV:

 -9.29(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)NO)CC3=C(C(=CC=C3)Cl)F

DOS

IR

Vibrations