Geometry & MOs

Info

ID:

136503

PubChem CID:

52051294

Reduced:

ClFSO2N4H22C25 (1)

Stoich.:

ABCD2E4F22G25 (1)

Weight, g/mol:

526.201634

ΔHf, kcal/mol:

5.12

Dipole, Da:

2.68

IP(EA), eV:

 -8.68(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-1-[4-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-2-fluorophenyl]-N-[(1S)-2,3-dihydro-1H-inden-1-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C2=C(C=C(C=C2)C3=NOC(=N3)C4=CC(=CC=C4)Cl)F)C(=O)NCC5=CC=CS5

DOS

IR

Vibrations