Geometry & MOs

Info

ID:	63785
PubChem CID:	26759183
Reduced:	ClNSO5C19H20 (1)
Stoich.:	ABCD5E19F20 (1)
Weight, g/mol:	456.058042
ΔH_f, kcal/mol:	-165.14
Dipole, Da:	5.41
IP(EA), eV:	-8.08(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations