Geometry & MOs

Info

ID:

324197

PubChem CID:

126677117

Reduced:

ClNO3C17H18 (1)

Stoich.:

ABC3D17E18 (1)

Weight, g/mol:

634.197394

ΔHf, kcal/mol:

-102.71

Dipole, Da:

5.56

IP(EA), eV:

 -8.92(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1Z)-1-[3-(5-methyl-2-propan-2-ylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-[4-[(1R)-2-[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]cyclopropyl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=CC(=CC=C2)C(=O)NCCOC)O

DOS

IR

Vibrations