Geometry & MOs

Info

ID:

191183

PubChem CID:

78115915

Reduced:

FN2O2H17C18 (1)

Stoich.:

AB2C2D17E18 (1)

Weight, g/mol:

1146.398061

ΔHf, kcal/mol:

-2.44

Dipole, Da:

2.52

IP(EA), eV:

-9.27(-1.18)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-amino-N-[2-[[6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-2-oxoethyl]-N'-[3-[2-[2-[3-[(3',6'-dihydroxy-1-oxospiro[2-benzofuran-3,9'-xanthene]-4-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]pentanediamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C#CC2=CC(=CN=C2)OCC3CCN3)F

DOS

IR

Vibrations