Geometry & MOs

Info

ID:

225726

PubChem CID:

87225399

Reduced:

BrCl2N2O2F3H20C23 (1)

Stoich.:

AB2C2D2E3F20G23 (1)

Weight, g/mol:

532.142594

ΔHf, kcal/mol:

-152.45

Dipole, Da:

3.93

IP(EA), eV:

 -9.57(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-3-(5-carbamimidoyl-1,3-dihydrobenzimidazol-2-ylidene)-5-(5-fluoro-2-hydroxyphenyl)-4-oxo-N-(pyridin-4-ylmethyl)cyclohexa-1,5-diene-1-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1C(=NOC1(C2=CC(=CC(=C2)Cl)Cl)C(F)(F)F)C3=CC(=C(C=C3)CN(C)C(=O)C4CC4)Br

DOS

IR

Vibrations