Geometry & MOs

Info

ID:	5582
PubChem CID:	13358
Reduced:	ClNSO2C5H12 (1)
Stoich.:	ABCD2E5F12 (1)
Weight, g/mol:	185.027727
ΔH_f, kcal/mol:	-134.59
Dipole, Da:	4.91
IP(EA), eV:	-9.78(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-ethoxy-1-oxo-3-sulfanylpropan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CS)[NH3+].[Cl-]

DOS

IR

Vibrations