Geometry & MOs

Info

ID:

185575

PubChem CID:

77315042

Reduced:

NO4C20H25 (2)

Stoich.:

AB4C20D25 (2)

Weight, g/mol:

558.140292

ΔHf, kcal/mol:

-234.6

Dipole, Da:

5.91

IP(EA), eV:

 -8.0(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropyl] 4-(3-hydroxybutanoyl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC.CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC

DOS

IR

Vibrations