Geometry & MOs

Info

ID:	433167
PubChem CID:	135173304
Reduced:	NS2O5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	325.134779
ΔH_f, kcal/mol:	-186.04
Dipole, Da:	9.53
IP(EA), eV:	-9.26(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propanoylpiperidin-4-yl)methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCC(CC2)N(C3CC3)S(=O)(=O)C

DOS

IR

Vibrations