Geometry & MOs

Info

ID:

436386

PubChem CID:

135199657

Reduced:

Cl2O7H20C25 (1)

Stoich.:

A2B7C20D25 (1)

Weight, g/mol:

1149.443496

ΔHf, kcal/mol:

-219.13

Dipole, Da:

7.98

IP(EA), eV:

 -8.73(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(N,3-diethylanilino)-2-oxoethyl]-N-[4-[8-[[1-oxo-3',6'-bis[(2,2,2-trifluoroacetyl)amino]spiro[2-benzofuran-3,9'-xanthene]-5-carbonyl]amino]octylcarbamoyl]cyclohexyl]indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)OC)O)Cl)Cl)O)OC

DOS

IR

Vibrations