Geometry & MOs

Info

ID:

302368

PubChem CID:

124361438

Reduced:

SCl3O3N4C19H19 (1)

Stoich.:

AB3C3D4E19F19 (1)

Weight, g/mol:

488.024345

ΔHf, kcal/mol:

-77.69

Dipole, Da:

10.4

IP(EA), eV:

 -8.85(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1R)-2,2,2-trichloro-1-[[(1S,9S)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=S)N[C@@H](C(Cl)(Cl)Cl)NC(=O)C4=CC=CO4

DOS

IR

Vibrations