Geometry & MOs

Info

ID:	226240
PubChem CID:	87350210
Reduced:	SF2N5O6C21H27 (1)
Stoich.:	AB2C5D6E21F27 (1)
Weight, g/mol:	220.105922
ΔH_f, kcal/mol:	-258.36
Dipole, Da:	2.84
IP(EA), eV:	-9.25(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-aminoethylamino)acetyl]oxy-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(C)OC(=O)N1CCC(CC1)ON=C2CCN(CC2)C3=C(C=C(C(=C3)F)NC(=O)N=S(=O)=O)F

DOS

IR

Vibrations