Geometry & MOs

Info

ID:

59022

PubChem CID:

24770340

Reduced:

ClSF2N2O5C26H29 (1)

Stoich.:

ABC2D2E5F26G29 (1)

Weight, g/mol:

581.156276

ΔHf, kcal/mol:

-259.07

Dipole, Da:

5.96

IP(EA), eV:

 -9.53(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H](N([C@H](C1)C2(CC2)OC(=O)N3CCC(CC3)O)S(=O)(=O)C4=C(C=C(C=C4)F)Cl)C5=CC(=CC=C5)F

DOS

IR

Vibrations