Geometry & MOs

Info

ID:

434507

PubChem CID:

135175092

Reduced:

N5O5C27H41 (1)

Stoich.:

A5B5C27D41 (1)

Weight, g/mol:

939.52699

ΔHf, kcal/mol:

-203.19

Dipole, Da:

4.68

IP(EA), eV:

 -8.35(0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[4-[1-[3-[4-[[2-[1-[5-fluoro-2-(oxan-2-yloxy)phenyl]ethyl]-3-oxo-1H-isoindol-4-yl]amino]butoxy]propyl]piperidin-4-yl]piperazin-1-yl]-N-formyl-2-methyl-N-[1-(methylamino)-1,5-dioxopentan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N)NC(=O)COC2CC(C2)OC3=CC=C(C=C3)N4CCNCC4

DOS

IR

Vibrations