Geometry & MOs

Info

ID:

444788

PubChem CID:

135263545

Reduced:

N2O5C29H30 (1)

Stoich.:

A2B5C29D30 (1)

Weight, g/mol:

418.10081

ΔHf, kcal/mol:

-139.58

Dipole, Da:

9.22

IP(EA), eV:

 -8.61(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E)-3-[4-[(7Z)-6-chloro-8-fluoro-7-(2-fluoro-6-oxocyclohexa-2,4-dien-1-ylidene)-1H-imidazo[1,2-a]pyridin-3-yl]piperazin-1-yl]prop-2-enal

Drug info:

PubChemData

Smile

C[C@H](COC1=CC=C(C=C1)C2=CC3=CC=CC=C3O2)[C@H](C)NC4=CC=C(C=C4)C(=O)NCCC(=O)O

DOS

IR

Vibrations