Geometry & MOs

Info

ID:

432319

PubChem CID:

135172452

Reduced:

INF2O3C17H30 (1)

Stoich.:

ABC2D3E17F30 (1)

Weight, g/mol:

829.379912

ΔHf, kcal/mol:

-242.75

Dipole, Da:

4.18

IP(EA), eV:

-9.08(-2.42)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

5-[5-[4-[2-[[(16E)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaen-11-yl]oxy]ethyl]piperazin-1-yl]pentoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC(C)OC1CC(C1)OC2CCN(CC2)CC(CCCOI)(F)F

DOS

IR

Vibrations