Geometry & MOs

Info

ID:	140683
PubChem CID:	52740964
Reduced:	ClFN2O3H20C25 (1)
Stoich.:	ABC2D3E20F25 (1)
Weight, g/mol:	461.214841
ΔH_f, kcal/mol:	-92.45
Dipole, Da:	2.59
IP(EA), eV:	-8.88(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[[(2S)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]propan-2-yl]carbamoyl]-4-methylphenyl]sulfonyl-(2-fluorophenyl)azanide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)F)Cl)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations