Geometry & MOs

Info

ID:	63786
PubChem CID:	26759185
Reduced:	ClN2S2O5C19H21 (1)
Stoich.:	AB2C2D5E19F21 (1)
Weight, g/mol:	456.058042
ΔH_f, kcal/mol:	-175.19
Dipole, Da:	1.92
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations