Geometry & MOs

Info

ID:	122530
PubChem CID:	50810759
Reduced:	N2S2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	468.05185
ΔH_f, kcal/mol:	-48.48
Dipole, Da:	9.44
IP(EA), eV:	-8.48(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)N(C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations