Geometry & MOs

Info

ID:

233406

PubChem CID:

89856005

Reduced:

FO4N5C20H26 (1)

Stoich.:

AB4C5D20E26 (1)

Weight, g/mol:

529.179518

ΔHf, kcal/mol:

-153.91

Dipole, Da:

9.08

IP(EA), eV:

 -8.76(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-7-fluoro-2-methyl-6-(4-methylpiperazin-1-yl)-N'-(4-methylsulfonylphenyl)-10-oxo-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H]1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C(=O)NNCCO

DOS

IR

Vibrations