Geometry & MOs

Info

ID:	63810
PubChem CID:	26759232
Reduced:	ClNS2O5C17H22 (1)
Stoich.:	ABC2D5E17F22 (1)
Weight, g/mol:	419.062793
ΔH_f, kcal/mol:	-207.77
Dipole, Da:	3.05
IP(EA), eV:	-8.61(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations