Geometry & MOs

Info

ID:	388974
PubChem CID:	134990784
Reduced:	S2N3O6H19C21 (1)
Stoich.:	A2B3C6D19E21 (1)
Weight, g/mol:	299.136887
ΔH_f, kcal/mol:	-81.81
Dipole, Da:	4.49
IP(EA), eV:	-9.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2,3-dihydroxybutanedioic acid;(2R)-N-methyl-1-phenylpropan-2-amine

Drug info:

PubChemData

Smile

C=C1CS[C@@H]2[C@@H](C(=O)N2C1C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])NC(=O)CC4=CC=CS4

DOS

IR

Vibrations