Geometry & MOs

Info

ID:	127414
PubChem CID:	51001351
Reduced:	O2N7C26H27 (1)
Stoich.:	A2B7C26D27 (1)
Weight, g/mol:	486.143628
ΔH_f, kcal/mol:	12.31
Dipole, Da:	6.75
IP(EA), eV:	-8.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-N-[4-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1NC(=O)NC2=CC=CC(=C2)C3CCCN(C3)C4=NC=NC5=C4C=CN5

DOS

IR

Vibrations