Geometry & MOs

Info

ID:

233401

PubChem CID:

89855845

Reduced:

ClFN2O5C21H26 (1)

Stoich.:

ABC2D5E21F26 (1)

Weight, g/mol:

541.172124

ΔHf, kcal/mol:

-275.78

Dipole, Da:

3.17

IP(EA), eV:

 -10.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N'-(2,4-dinitrophenyl)-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

CCOC(=O)C1CCCC(C1)N2CCC(C2=O)(C(=O)NCC3=CC(=CC(=C3)Cl)F)O

DOS

IR

Vibrations