Geometry & MOs

Info

ID:	433168
PubChem CID:	135173305
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	339.150429
ΔH_f, kcal/mol:	-173.53
Dipole, Da:	8.5
IP(EA), eV:	-9.25(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)COS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations