Geometry & MOs

Info

ID:	60670
PubChem CID:	26697381
Reduced:	N3O3C14H19 (1)
Stoich.:	A3B3C14D19 (1)
Weight, g/mol:	351.075214
ΔH_f, kcal/mol:	-38.1
Dipole, Da:	9.09
IP(EA), eV:	-8.96(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl 3-(cyclopentylcarbamoyl)benzenesulfonate

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)C(=O)NC2CCCC2)[N+](=O)[O-]

DOS

IR

Vibrations