Geometry & MOs

Info

ID:

125418

PubChem CID:

50923428

Reduced:

FNSeO3H16C18 (1)

Stoich.:

ABCD3E16F18 (1)

Weight, g/mol:

1409.691576

ΔHf, kcal/mol:

-61.73

Dipole, Da:

2.37

IP(EA), eV:

-8.11(-0.74)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[5,11,23,29-tetratert-butyl-35-(1,3-dioxoisoindol-2-yl)-49,50,51,52-tetraethoxy-42-nitro-38,46-dioxanonacyclo[17.17.11.13,7.19,13.121,25.127,31.140,44.015,47.033,37]dopentaconta-1(36),3,5,7(52),9(51),10,12,15,17,19(47),21,23,25(50),27(49),28,30,33(37),34,40,42,44(48)-henicosaen-17-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2=C([Se]N=C2)C3=CC=CC=C3F

DOS

IR

Vibrations