Geometry & MOs

Info

ID:	229626
PubChem CID:	87568230
Reduced:	ClSN2O3F4H25C27 (1)
Stoich.:	ABC2D3E4F25G27 (1)
Weight, g/mol:	226.068867
ΔH_f, kcal/mol:	-253.31
Dipole, Da:	6.86
IP(EA), eV:	-8.87(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethane-1,2-diol;2-hydroxy-3-methoxybutanedioic acid

Drug info:

PubChemData

Smile

C1C[N+]2(CCC1[C@H](C2)OC(=O)N(CC3=CC(=C(C(=C3)F)F)F)C4=CC(=CC=C4)F)CC(=O)C5=CC=CS5.[Cl-]

DOS

IR

Vibrations