Geometry & MOs

Info

ID:

449168

PubChem CID:

135296522

Reduced:

F2O4N5C29H29 (1)

Stoich.:

A2B4C5D29E29 (1)

Weight, g/mol:

680.405004

ΔHf, kcal/mol:

-169.02

Dipole, Da:

3.98

IP(EA), eV:

 -8.78(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-[5-[3-formyl-4-[1-[(6-formyl-2-methylpyridin-3-yl)-methylamino]ethenyl]phenoxy]pentyl]piperazin-1-yl]-N-(2,2,4,4-tetramethylcyclobutyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCCCCOC2=CC3=C(C=C2)C(=O)N(C3=O)C4=C(C=C(C=C4)F)F)C5=NC=C(C=C5)C(=O)N

DOS

IR

Vibrations