Geometry & MOs

Info

ID:	61508
PubChem CID:	26710067
Reduced:	O4N5C23H23 (1)
Stoich.:	A4B5C23D23 (1)
Weight, g/mol:	393.135842
ΔH_f, kcal/mol:	-22.79
Dipole, Da:	4.02
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N4CCCC4=O)C)[N+](=O)[O-]

DOS

IR

Vibrations