Geometry & MOs

Info

ID:	64550
PubChem CID:	29202831
Reduced:	SN3O4C23H31 (1)
Stoich.:	AB3C4D23E31 (1)
Weight, g/mol:	456.171893
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	4.99
IP(EA), eV:	-8.64(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexanoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](C(C)C)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations