Geometry & MOs

Info

ID:	299373
PubChem CID:	117682750
Reduced:	NSO2C8H16 (2)
Stoich.:	ABC2D8E16 (2)
Weight, g/mol:	179.061614
ΔH_f, kcal/mol:	-216.51
Dipole, Da:	1.41
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-hydroxy-2-(sulfanylamino)hexanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)NCCSC(CNC(=O)CCCCCO)S)COC

DOS

IR

Vibrations