Geometry & MOs

Info

ID:	11573
PubChem CID:	117834
Reduced:	NSO8C17H29 (1)
Stoich.:	ABC8D17E29 (1)
Weight, g/mol:	407.161388
ΔH_f, kcal/mol:	-364.83
Dipole, Da:	7.31
IP(EA), eV:	-9.71(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-2-sulfo-4-[2-(undec-10-enoylamino)ethoxy]butanoic acid

Drug info:

PubChemData

Smile

C=CCCCCCCCCC(=O)NCCOC(=O)CC(C(=O)O)S(=O)(=O)O

DOS

IR

Vibrations