Geometry & MOs

Info

ID:

446227

PubChem CID:

135273266

Reduced:

F2N2O4H8C13 (1)

Stoich.:

A2B2C4D8E13 (1)

Weight, g/mol:

744.307161

ΔHf, kcal/mol:

-221.25

Dipole, Da:

6.12

IP(EA), eV:

 -10.63(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-[6-[4-[2-[4-[(1S,2R)-2-(4-fluorophenyl)-6-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]ethyl]piperazin-1-yl]pyridin-3-yl]oxy-6-oxopyridazin-1-yl]piperidine-2,6-dione

Drug info:

PubChemData

Smile

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C=CC(=C3C2=O)F)F

DOS

IR

Vibrations