Geometry & MOs

Info

ID:	133030
PubChem CID:	51465051
Reduced:	SN4O6C20H20 (1)
Stoich.:	AB4C6D20E20 (1)
Weight, g/mol:	444.110356
ΔH_f, kcal/mol:	-169.19
Dipole, Da:	12.06
IP(EA), eV:	-9.8(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)NC(=O)[C@@H](C1=CC=CC=C1)OC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations