Geometry & MOs

Info

ID:

176236

PubChem CID:

76015547

Reduced:

SN3O6C22H29 (2)

Stoich.:

AB3C6D22E29 (2)

Weight, g/mol:

468.246494

ΔHf, kcal/mol:

-438.57

Dipole, Da:

2.09

IP(EA), eV:

 -8.88(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[3-[5-chloro-3-hydroxy-2-[2-(1-pentylcyclohexyl)ethyl]cyclopentyl]propyl]thiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CC1(C(=O)NS(=O)(=O)C2CC2)NC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C(C4CCCCC4)NS(=O)(=O)C5=CC=CC=C5)OC(=O)N6CC7=CC8=C(C=C7C6)OCO8

DOS

IR

Vibrations