Geometry & MOs

Info

ID:

162282

PubChem CID:

57394175

Reduced:

OF3N6H25C29 (1)

Stoich.:

AB3C6D25E29 (1)

Weight, g/mol:

615.228218

ΔHf, kcal/mol:

-45.23

Dipole, Da:

5.56

IP(EA), eV:

 -8.82(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-N-[(3S)-2-oxo-1-[2-oxo-2-[7-(piperidine-4-carbonyl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]piperidin-3-yl]naphthalene-2-sulfonamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=C(N3C1=NC(C3)(C)C)N(C(=N2)C4=CN=C(C=C4)C5=CC=CC=C5F)CC6=CC(=C(C=C6)F)F

DOS

IR

Vibrations