Geometry & MOs

Info

ID:	150094
PubChem CID:	53789780
Reduced:	ClF3N4H14C18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	277.079766
ΔH_f, kcal/mol:	-90.1
Dipole, Da:	4.93
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-carboxy-2-[[(1S)-1-carboxyethyl]amino]ethoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1C(=NC(=N2)N)N)C(=CC3=CC=C(C=C3)C(F)(F)F)Cl

DOS

IR

Vibrations