Geometry & MOs

Info

ID:	228486
PubChem CID:	87564812
Reduced:	FSN3O3C16H18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	428.101763
ΔH_f, kcal/mol:	-89.97
Dipole, Da:	3.07
IP(EA), eV:	-9.84(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-[4-(trifluoromethyl)phenyl]sulfonylanilino)piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1CC1)C(CN2C(=NC=N2)SC(=O)O)(C3=CC(=CC=C3)F)O

DOS

IR

Vibrations