Geometry & MOs

Info

ID:	198874
PubChem CID:	79164890
Reduced:	SO3N5C9H15 (1)
Stoich.:	AB3C5D9E15 (1)
Weight, g/mol:	233.108565
ΔH_f, kcal/mol:	-44.26
Dipole, Da:	5.01
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methylmorpholin-2-yl)methylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CN1CCOC(C1)CSC2=NN=NN2CC(=O)O

DOS

IR

Vibrations