Geometry & MOs

Info

ID:

233409

PubChem CID:

89856150

Reduced:

FON7H24C29 (1)

Stoich.:

ABC7D24E29 (1)

Weight, g/mol:

507.264568

ΔHf, kcal/mol:

116.94

Dipole, Da:

11.01

IP(EA), eV:

 -8.77(-2.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N'-(4-tert-butylphenyl)-7-fluoro-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

CCNCC1=CC(=CN=C1)C2=CC\3=C(C=C2)NN/C3=C/4\N=C5C=NC=C(C5=N4)C6=CC(=CC(=C6)CC=O)F

DOS

IR

Vibrations