Geometry & MOs

Info

ID:	32965
PubChem CID:	7849762
Reduced:	NSO5C18H25 (1)
Stoich.:	ABC5D18E25 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-214.72
Dipole, Da:	6.53
IP(EA), eV:	-9.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)C)C

DOS

IR

Vibrations