Geometry & MOs

Info

ID:	140684
PubChem CID:	52741061
Reduced:	FSN3O3C24H32 (1)
Stoich.:	ABC3D3E24F32 (1)
Weight, g/mol:	461.214841
ΔH_f, kcal/mol:	-120.98
Dipole, Da:	20.53
IP(EA), eV:	-6.93(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-2-yl]-5-[(2-fluorophenyl)sulfamoyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](C)NC(=O)C2=C(C=CC(=C2)S(=O)(=O)[N-]C3=CC=CC=C3F)C)C

DOS

IR

Vibrations