Geometry & MOs

Info

ID:	213261
PubChem CID:	81063279
Reduced:	NSO5C9H17 (1)
Stoich.:	ABC5D9E17 (1)
Weight, g/mol:	231.092915
ΔH_f, kcal/mol:	-240.51
Dipole, Da:	4.58
IP(EA), eV:	-10.2(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(thiolane-3-carbonylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCS(=O)(=O)C

DOS

IR

Vibrations