Geometry & MOs

Info

ID:

297394

PubChem CID:

117616769

Reduced:

FNOC8H8 (3)

Stoich.:

ABCD8E8 (3)

Weight, g/mol:

424.13176

ΔHf, kcal/mol:

-205.41

Dipole, Da:

4.6

IP(EA), eV:

 -9.14(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S)-2-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)amino]-4-oxo-2H-pyrazolo[4,3-c]pyridin-1-yl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=C(C=CC(=C2)C(F)(F)F)OC3=CC=C(C=C3)C4=NC=CC(=N4)[C@@H](CO)O

DOS

IR

Vibrations