Geometry & MOs

Info

ID:

49724

PubChem CID:

11533665

Reduced:

ClS2N4O5H17C22 (1)

Stoich.:

AB2C4D5E17F22 (1)

Weight, g/mol:

516.159804

ΔHf, kcal/mol:

-95.74

Dipole, Da:

5.57

IP(EA), eV:

 -8.86(-1.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 1-[4-[5-[[(5-chlorothiophene-2-carbonyl)amino]methyl]-5-methyl-4H-1,2-oxazol-3-yl]benzenecarboximidoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=NC=CN=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)Cl)C(=O)N[C@@H](CC4=CSC=C4)C(=O)O

DOS

IR

Vibrations