Geometry & MOs

Info

ID:

180975

PubChem CID:

76713039

Reduced:

SO3N4C32H34 (1)

Stoich.:

AB3C4D32E34 (1)

Weight, g/mol:

639.231554

ΔHf, kcal/mol:

-6.75

Dipole, Da:

8.11

IP(EA), eV:

 -8.67(-0.37)

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-pyridin-2-ylethyl)ethanesulfonamide

Drug info:

PubChemData

Smile

CC12CC3=C(C=C1CCC2CN(CCC4=CC=CC=C4O)S(=O)(=O)CC5=CN=CC=C5)N(N=C3)C6=CC=CC=C6

DOS

IR

Vibrations