Geometry & MOs

Info

ID:	63806
PubChem CID:	26759225
Reduced:	ClNS2O5C16H20 (1)
Stoich.:	ABC2D5E16F20 (1)
Weight, g/mol:	405.047143
ΔH_f, kcal/mol:	-202.91
Dipole, Da:	1.84
IP(EA), eV:	-8.6(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations