Geometry & MOs

Info

ID:	153710
PubChem CID:	56313010
Reduced:	SCl2N2O3C20H28 (1)
Stoich.:	AB2C2D3E20F28 (1)
Weight, g/mol:	436.19444
ΔH_f, kcal/mol:	-150.75
Dipole, Da:	6.82
IP(EA), eV:	-9.59(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2-dimethylimidazol-4-yl)sulfonyl-N-[2-(2-fluorophenyl)-2-methylpropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)(C)NC(=O)C2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations