Geometry & MOs

Info

ID:	139658
PubChem CID:	52576023
Reduced:	SN3O3C13H24 (1)
Stoich.:	AB3C3D13E24 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-73.83
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.893806
Charge, e:	0

Chem-info

IUPAC name:

methyl (3R)-3-(4-methylphenyl)-3-[[(3S)-3-methylpiperidin-1-yl]sulfonylamino]propanoate

Drug info:

PubChemData

Smile

C[NH+](C)[C@H](CNS(=O)(=O)N(C)C)C1=CC(=CC=C1)OC

DOS

IR

Vibrations