Geometry & MOs

Info

ID:	399071
PubChem CID:	135037515
Reduced:	ClON2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	149.008613
ΔH_f, kcal/mol:	-8.46
Dipole, Da:	7.79
IP(EA), eV:	-9.51(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2,3,4-trihydroxy-4-oxobutanoate

Drug info:

PubChemData

Smile

CN1CC[C@@]2(C1=O)C[C@@H](C=C2)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations