Geometry & MOs

Info

ID:

323793

PubChem CID:

126676191

Reduced:

ON2C8H8 (2)

Stoich.:

AB2C8D8 (2)

Weight, g/mol:

627.187558

ΔHf, kcal/mol:

-26.32

Dipole, Da:

5.87

IP(EA), eV:

 -9.04(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2Z)-2-[hydroxy-[4-[[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]amino]methyl]anilino]methyl]imino-3-[2-(methoxymethyl)-5-methylphenyl]-1,3-thiazolidin-4-one

Drug info:

PubChemData

Smile

CC1=CN(C(=O)C(=C1)C(=O)NC)CC2=NC=CC3=C2C=CN3

DOS

IR

Vibrations