Geometry & MOs

Info

ID:	133155
PubChem CID:	51485361
Reduced:	SN2O8C23H24 (1)
Stoich.:	AB2C8D23E24 (1)
Weight, g/mol:	388.145678
ΔH_f, kcal/mol:	-283.82
Dipole, Da:	5.72
IP(EA), eV:	-8.96(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyridin-2-ylmethyl 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylbenzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)OC)COC(=O)C3=CC(=CC=C3)S(=O)(=O)C

DOS

IR

Vibrations