Geometry & MOs

Info

ID:	228762
PubChem CID:	87565693
Reduced:	S2N3F6O6H21C31 (1)
Stoich.:	A2B3C6D6E21F31 (1)
Weight, g/mol:	192.063388
ΔH_f, kcal/mol:	-427.79
Dipole, Da:	11.99
IP(EA), eV:	-8.81(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-3-propoxybutanedioic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC=N2)CN3[C@@H](C(=O)N(C3=O)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)CC5=CSC6=CC=CC=C65.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations