Geometry & MOs

Info

ID:	132208
PubChem CID:	51320952
Reduced:	BrOSN2H17C18 (1)
Stoich.:	ABCD2E17F18 (1)
Weight, g/mol:	394.14749
ΔH_f, kcal/mol:	35.5
Dipole, Da:	6.34
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=C(S1)Br)C(=O)CC2=CC=CC3=C2N=CC=C3

DOS

IR

Vibrations