Geometry & MOs

Info

ID:	133029
PubChem CID:	51465050
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	444.110356
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	6.29
IP(EA), eV:	-9.47(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate

Drug info:

PubChemData

Smile

CC[C@H]1CCCCN1C(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations