Geometry & MOs

Info

ID:

223831

PubChem CID:

85335634

Reduced:

O4C39H58 (1)

Stoich.:

A4B39C58 (1)

Weight, g/mol:

590.130121

ΔHf, kcal/mol:

-223.81

Dipole, Da:

1.4

IP(EA), eV:

 -8.95(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4-chlorophenyl)sulfonyl-3-(2,5-difluorophenyl)-2-methylpropyl] 4-(2-methoxyacetyl)piperazine-1-carboxylate;formic acid

Drug info:

PubChemData

Smile

CCC(CCC(C)C1CCC2C1(CCC3C2(CC=C4C3(CCC(C4)OC(=O)C=CC5=CC(=C(C=C5)O)O)C)C)C)C(C)C

DOS

IR

Vibrations