Geometry & MOs

Info

ID:	336991
PubChem CID:	127256556
Reduced:	SO4C7N10H16 (1)
Stoich.:	AB4C7D10E16 (1)
Weight, g/mol:	256.985778
ΔH_f, kcal/mol:	41.2
Dipole, Da:	4.09
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2,2-dichloroacetyl)amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)/N=C(\N)/NN)N=C(N)NN.OS(=O)(=O)O

DOS

IR

Vibrations