Geometry & MOs

Info

ID:

430368

PubChem CID:

135170432

Reduced:

FNO8C37H44 (1)

Stoich.:

ABC8D37E44 (1)

Weight, g/mol:

983.558765

ΔHf, kcal/mol:

-323.53

Dipole, Da:

4.65

IP(EA), eV:

 -8.69(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[13-[4-[9,10-bis[[3-(2-methylprop-2-enoylamino)propylamino]methyl]anthracen-2-yl]phenyl]-19-(diethylamino)-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3,5,8,10,12,15,17(22),18,20-decaen-7-ylidene]-diethylazanium

Drug info:

PubChemData

Smile

CC(=C)C(=O)OC1CC(NC(C1)(C)C)(C)C.CC(=C)C(=O)OC1=C(C(=CC=C1)F)O.CC(=C)C(=O)OC1=CC=CC2=C1C=CC=C2O

DOS

IR

Vibrations