Geometry & MOs

Info

ID:	226504
PubChem CID:	87457655
Reduced:	NSF3O4C7H10 (1)
Stoich.:	ABC3D4E7F10 (1)
Weight, g/mol:	313.261694
ΔH_f, kcal/mol:	-273.39
Dipole, Da:	2.34
IP(EA), eV:	-9.69(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[dodecanoyl(2-methylpropyl)amino]acetic acid

Drug info:

PubChemData

Smile

CON1CCC(=CC1)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations