Geometry & MOs

Info

ID:	135684
PubChem CID:	51915575
Reduced:	SN2O6C25H32 (1)
Stoich.:	AB2C6D25E32 (1)
Weight, g/mol:	458.187543
ΔH_f, kcal/mol:	-219.34
Dipole, Da:	3.61
IP(EA), eV:	-8.69(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethylanilino)-2-oxoethyl] 3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NCCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations