Geometry & MOs

Info

ID:	130804
PubChem CID:	51109650
Reduced:	NSO5C18H21 (1)
Stoich.:	ABC5D18E21 (1)
Weight, g/mol:	351.075214
ΔH_f, kcal/mol:	-146.95
Dipole, Da:	7.75
IP(EA), eV:	-9.2(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(2,3,4-trifluorophenyl)sulfonylpiperidine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations