Geometry & MOs

Info

ID:	133028
PubChem CID:	51464983
Reduced:	N3O4C31H31 (1)
Stoich.:	A3B4C31D31 (1)
Weight, g/mol:	407.151492
ΔH_f, kcal/mol:	-72.81
Dipole, Da:	7.91
IP(EA), eV:	-8.52(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC[C@H](CN3C=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)O)C)C

DOS

IR

Vibrations