Geometry & MOs

Info

ID:

409353

PubChem CID:

135082133

Reduced:

N3O5C23H30 (1)

Stoich.:

A3B5C23D30 (1)

Weight, g/mol:

1236.04043

ΔHf, kcal/mol:

-83.03

Dipole, Da:

2.6

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.836898

Charge, e:

 0

Chem-info

IUPAC name:

2-[(Z)-2-[4-[(3R,4S)-4-(1,3-dioxoisoindol-2-yl)-3-methyl-2-methylidene-5-morpholin-4-yl-5-oxopentyl]morpholin-4-ium-4-yl]-2-hydroxyethenyl]isoindole-1,3-dione;trifluoromethanesulfonate;ytterbium(2+)

Drug info:

PubChemData

Smile

C/C=C(\CN1CCOCC1)/C[N+]2(CCOCC2)/C(=C/N3C(=O)C4=CC=CC=C4C3=O)/O

DOS

IR

Vibrations