Geometry & MOs

Info

ID:	187279
PubChem CID:	77553934
Reduced:	FON5C32H38 (1)
Stoich.:	ABC5D32E38 (1)
Weight, g/mol:	459.096343
ΔH_f, kcal/mol:	-3.03
Dipole, Da:	2.71
IP(EA), eV:	-7.8(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-[4-(5-methoxypyridin-3-yl)-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1C2=CNN(C2=CC3=C1C(CC3)CC(C4=CC=CC=C4)NC(=O)NCC5CCNCC5)C6=CC=C(C=C6)F

DOS

IR

Vibrations