Geometry & MOs

Info

ID:

59023

PubChem CID:

24770342

Reduced:

ClSF2N3O5C27H30 (1)

Stoich.:

ABC2D3E5F27G30 (1)

Weight, g/mol:

565.185827

ΔHf, kcal/mol:

-259.93

Dipole, Da:

7.09

IP(EA), eV:

 -9.48(-1.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(2R,6S)-1-(2,4-difluorophenyl)sulfonyl-6-(3-fluorophenyl)piperidin-2-yl]cyclopropyl] 4-acetylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(C1)C(=O)OC2(CC2)[C@H]3CCC[C@H](N3S(=O)(=O)C4=C(C=C(C=C4)F)Cl)C5=CC(=CC=C5)F

DOS

IR

Vibrations