Geometry & MOs

Info

ID:

49857

PubChem CID:

11533970

Reduced:

NF3O4C31H34 (1)

Stoich.:

AB3C4D31E34 (1)

Weight, g/mol:

541.178376

ΔHf, kcal/mol:

-302.77

Dipole, Da:

4.61

IP(EA), eV:

 -9.15(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-oxo-3-(1-oxothian-4-yl)benzimidazol-1-yl]-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC(=C(C=C2)C3=CC=C(C=C3)C(C)(C)C)C(F)(F)F

DOS

IR

Vibrations