Geometry & MOs

Info

ID:	139659
PubChem CID:	52576100
Reduced:	SN2O4C17H26 (1)
Stoich.:	AB2C4D17E26 (1)
Weight, g/mol:	354.161329
ΔH_f, kcal/mol:	-166.21
Dipole, Da:	4.67
IP(EA), eV:	-9.42(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H]1CCCN(C1)S(=O)(=O)N[C@H](CC(=O)OC)C2=CC=C(C=C2)C

DOS

IR

Vibrations