Geometry & MOs

Info

ID:	153328
PubChem CID:	56312510
Reduced:	FON2S2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	472.219592
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	5.07
IP(EA), eV:	-9.34(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-fluorophenyl)-2-methylpropyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CSC(=N1)C2=CC=CS2)C3=CC=CC=C3F

DOS

IR

Vibrations