Geometry & MOs

Info

ID:

299168

PubChem CID:

117673745

Reduced:

FO3C12H21 (1)

Stoich.:

AB3C12D21 (1)

Weight, g/mol:

1161.314854

ΔHf, kcal/mol:

-213.19

Dipole, Da:

2.95

IP(EA), eV:

 -9.64(0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6'-acetyloxy-4',5'-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2',7'-dichloro-5-(2-diphenylphosphanylethylcarbamoyl)-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] acetate

Drug info:

PubChemData

Smile

CCCCO[C@H]1CCC[C@H]([C@H]1OC(=O)C)F

DOS

IR

Vibrations