Geometry & MOs

Info

ID:

233405

PubChem CID:

89856004

Reduced:

FO3N5C20H26 (1)

Stoich.:

AB3C5D20E26 (1)

Weight, g/mol:

419.196883

ΔHf, kcal/mol:

-103.91

Dipole, Da:

5.99

IP(EA), eV:

 -8.69(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-7-fluoro-N'-(2-hydroxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)-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)NN(C)C

DOS

IR

Vibrations