Geometry & MOs

Info

ID:

435277

PubChem CID:

135187598

Reduced:

N2O3H24C25 (1)

Stoich.:

A2B3C24D25 (1)

Weight, g/mol:

1172.631041

ΔHf, kcal/mol:

24.48

Dipole, Da:

6.75

IP(EA), eV:

 -9.09(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[8-[3-[2-[2-[[3',6'-bis(dimethylamino)-1-oxospiro[2-benzofuran-3,9'-xanthene]-5-carbonyl]amino]ethoxy]ethoxy]propanoylamino]octylcarbamoyl]cyclohexyl]-1-[2-(N,3-diethylanilino)-2-oxoethyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2CCN(C(=O)[C@@]2(C=C(C1=O)C#N)C3=CC=CC=C3)CC4=CC(=CC=C4)OC

DOS

IR

Vibrations