Geometry & MOs

Info

ID:

334393

PubChem CID:

127252945

Reduced:

ClF2N3O8H26C30 (1)

Stoich.:

AB2C3D8E26F30 (1)

Weight, g/mol:

515.205636

ΔHf, kcal/mol:

-359.48

Dipole, Da:

7.4

IP(EA), eV:

 -9.15(-1.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E,9bR)-6-acetyl-7,9-dihydroxy-8,9b-dimethyl-2-[1-[[2-(2-methylpropyl)-3H-benzimidazol-5-yl]amino]ethylidene]dibenzofuran-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)OC(F)F)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations