Geometry & MOs

Info

ID:	232346
PubChem CID:	87576040
Reduced:	PSC2O4H7 (1)
Stoich.:	ABC2D4E7 (1)
Weight, g/mol:	572.177962
ΔH_f, kcal/mol:	-183.58
Dipole, Da:	7.82
IP(EA), eV:	-10.7(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,4S)-2-cyclopentyloxy-4-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]sulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)OP=O

DOS

IR

Vibrations