Geometry & MOs

Info

ID:	227217
PubChem CID:	87560652
Reduced:	NSO5C30H51 (1)
Stoich.:	ABC5D30E51 (1)
Weight, g/mol:	188.068473
ΔH_f, kcal/mol:	-261.22
Dipole, Da:	6.11
IP(EA), eV:	-9.53(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-4-(3-oxobutoxy)butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCC(CCCCCC)COCC(CC1CC2=CC=CC=C2C=N1)OS(=O)(=O)O

DOS

IR

Vibrations