Geometry & MOs

Info

ID:	278704
PubChem CID:	103837107
Reduced:	FNSO5C13H18 (1)
Stoich.:	ABCD5E13F18 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-243.66
Dipole, Da:	6.03
IP(EA), eV:	-9.83(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butan-2-yl(2-propylsulfonylethyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCC(CCNS(=O)(=O)C1=C(C=CC(=C1)F)C(=O)OC)O

DOS

IR

Vibrations