Geometry & MOs

Info

ID:	226052
PubChem CID:	87290150
Reduced:	S2N3O4F6C25H25 (1)
Stoich.:	A2B3C4D6E25F25 (1)
Weight, g/mol:	323.230788
ΔH_f, kcal/mol:	-427.41
Dipole, Da:	9.03
IP(EA), eV:	-8.97(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(2-hydroxyethoxy)azanium;undecanoate

Drug info:

PubChemData

Smile

CC(C)(C)C1CN(CCN1C(=O)O)C2=NC=CC3=C2C=C(S3)S(=O)(=O)CC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations