Geometry & MOs

Info

ID:

79325

PubChem CID:

49748055

Reduced:

FS2O4N5C28H32 (1)

Stoich.:

AB2C4D5E28F32 (1)

Weight, g/mol:

493.248918

ΔHf, kcal/mol:

-123.64

Dipole, Da:

6.56

IP(EA), eV:

 -8.62(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)oxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C(CCCN3S(=O)(=O)C4=CC=CS4)C=C2)C5=CC=C(C=C5)F

DOS

IR

Vibrations