Geometry & MOs

Info

ID:	36522
PubChem CID:	8007929
Reduced:	NSO4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	300.192331
ΔH_f, kcal/mol:	-147.03
Dipole, Da:	6.74
IP(EA), eV:	-9.24(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]piperidin-1-ium-4-carboxylate

Drug info:

PubChemData

Smile

CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

DOS

IR

Vibrations