Geometry & MOs

Info

ID:

230813

PubChem CID:

87572051

Reduced:

O3C43H88 (1)

Stoich.:

A3B43C88 (1)

Weight, g/mol:

1094.122821

ΔHf, kcal/mol:

-328.77

Dipole, Da:

3.6

IP(EA), eV:

 -9.65(1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,4-dimethoxyphenyl)-1,3-thiazole;2-[4-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-4-(2,5-dimethoxyphenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCOC[C@@H](CO)OCC[C@@H](C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C

DOS

IR

Vibrations