Geometry & MOs

Info

ID:

133670

PubChem CID:

51572105

Reduced:

ClO2S2N3H15C21 (1)

Stoich.:

AB2C2D3E15F21 (1)

Weight, g/mol:

459.101955

ΔHf, kcal/mol:

83.15

Dipole, Da:

4.68

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.901421

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-chlorophenoxy)methyl]-N'-[2-(2,5-dimethylphenoxy)acetyl]-4-methyl-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=NC(=S)S3)[O-])C4=CC=CC=C4)Cl

DOS

IR

Vibrations