Geometry & MOs

Info

ID:	228990
PubChem CID:	87566709
Reduced:	ClFSO3N4C21H24 (1)
Stoich.:	ABCD3E4F21G24 (1)
Weight, g/mol:	166.084124
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	5.29
IP(EA), eV:	-9.07(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxyacetic acid;propane-1,2-diol

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN(N=N4)CC(=O)O)/C3)S.Cl

DOS

IR

Vibrations