Geometry & MOs

Info

ID:

226675

PubChem CID:

87551013

Reduced:

N2O5C13H16 (1)

Stoich.:

A2B5C13D16 (1)

Weight, g/mol:

1094.522954

ΔHf, kcal/mol:

-170.98

Dipole, Da:

4.65

IP(EA), eV:

 -8.84(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(4-ethoxyphenyl)-2-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole;4-(4-ethylphenyl)-2-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=C(C=CC(=C1)C[C@@H](N=C=O)OC)O

DOS

IR

Vibrations