Geometry & MOs

Info

ID:	64485
PubChem CID:	29201465
Reduced:	N2S2O7C22H24 (1)
Stoich.:	A2B2C7D22E24 (1)
Weight, g/mol:	498.078298
ΔH_f, kcal/mol:	-235.45
Dipole, Da:	6.81
IP(EA), eV:	-8.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate

Drug info:

PubChemData

Smile

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations