Geometry & MOs

Info

ID:	249558
PubChem CID:	103090439
Reduced:	NSO4C9H17 (1)
Stoich.:	ABC4D9E17 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-182.44
Dipole, Da:	4.96
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylsulfanylbutyl)azetidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CSCCCCN(CC(=O)O)CC(=O)O

DOS

IR

Vibrations