Geometry & MOs

Info

ID:	153615
PubChem CID:	56312884
Reduced:	BrFON2S2H18C19 (1)
Stoich.:	ABCD2E2F18G19 (1)
Weight, g/mol:	398.203942
ΔH_f, kcal/mol:	-20.53
Dipole, Da:	3.07
IP(EA), eV:	-9.35(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations