Geometry & MOs

Info

ID:

180806

PubChem CID:

76689074

Reduced:

ClSN3O9C42H52 (1)

Stoich.:

ABC3D9E42F52 (1)

Weight, g/mol:

417.080157

ΔHf, kcal/mol:

-330.72

Dipole, Da:

9.63

IP(EA), eV:

 -8.92(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(4-chlorophenyl)methyl]-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1CC(=O)OC2CCCC2CC=CCCN3C(=CC4=C(C3=O)C=CC(=C4)Cl)OC5CC(N(C5)C1=O)C(=O)CC6(CC6C=C)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations