Geometry & MOs

Info

ID:

447594

PubChem CID:

135284105

Reduced:

S2O3F4N4H22C23 (1)

Stoich.:

A2B3C4D4E22F23 (1)

Weight, g/mol:

638.042759

ΔHf, kcal/mol:

-227.15

Dipole, Da:

10.51

IP(EA), eV:

 -8.75(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4S)-1-[[2,5-difluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]methyl]-2-phenylpiperidin-4-yl] 3,5-dichlorobenzoate

Drug info:

PubChemData

Smile

C1CN([C@@H](C[C@@H]1C(F)(F)F)C2=CC=NC=C2)[C@@H]3CCOC4=CC(=C(C=C34)F)S(=O)(=O)NC5=NC=CS5

DOS

IR

Vibrations