Geometry & MOs

Info

ID:

178302

PubChem CID:

76310014

Reduced:

ClF4N5O6H26C31 (1)

Stoich.:

AB4C5D6E26F31 (1)

Weight, g/mol:

645.164674

ΔHf, kcal/mol:

-343.21

Dipole, Da:

21.19

IP(EA), eV:

 -9.17(-1.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-fluoro-6-[(6-fluoro-3H-benzimidazol-5-yl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carbonyl]oxyethyl-dimethylazanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C[NH+](C)CCCOC(=O)C1=C(C2=C3C(=C(C=C2N1CC4=CC5=C(C=C4Cl)N=CN5)F)C=CO3)C6=CC=CNC6=O.C(=O)(C(F)(F)F)[O-]

DOS

IR

Vibrations