Geometry & MOs

Info

ID:

180973

PubChem CID:

76712937

Reduced:

BrO4C34H35 (1)

Stoich.:

AB4C34D35 (1)

Weight, g/mol:

656.226883

ΔHf, kcal/mol:

-69.95

Dipole, Da:

3.15

IP(EA), eV:

 -9.19(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(1,3-dioxoisoindol-2-yl)-N-[[1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl]-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide

Drug info:

PubChemData

Smile

CCC1C(C(C(C(O1)C2=CC(=CC=C2)Br)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5

DOS

IR

Vibrations