Geometry & MOs

Info

ID:	41567
PubChem CID:	8146329
Reduced:	SO2N4C19H26 (1)
Stoich.:	AB2C4D19E26 (1)
Weight, g/mol:	305.150132
ΔH_f, kcal/mol:	-35.91
Dipole, Da:	4.86
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[(2-oxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCN1C(=NN(C1=S)CN2CCC[C@@H](C2)C(=O)OCC)C3=CC=CC=C3

DOS

IR

Vibrations