Geometry & MOs

Info

ID:

226663

PubChem CID:

87550988

Reduced:

ClF3N3O5C29H35 (1)

Stoich.:

AB3C3D5E29F35 (1)

Weight, g/mol:

1034.324895

ΔHf, kcal/mol:

-358.9

Dipole, Da:

11.68

IP(EA), eV:

 -9.66(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-benzyl-2-[4-(2,4-dichlorophenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;4-[(2,4,6-trimethylphenyl)methyl]-2-[4-[2,4,6-tri(propan-2-yl)phenyl]sulfonylpiperazin-1-yl]-1,3-thiazole

Drug info:

PubChemData

Smile

CN(CC(CC1CCCCC1)NC(=O)C2=CC=CC(=C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)C(F)(F)F)C(=O)O

DOS

IR

Vibrations