Geometry & MOs

Info

ID:	228587
PubChem CID:	87565355
Reduced:	ClFSO3N4C22H26 (1)
Stoich.:	ABCD3E4F22G26 (1)
Weight, g/mol:	224.125988
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	0.78
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxyethoxy)ethanol;2-propoxyacetic acid

Drug info:

PubChemData

Smile

COC(=O)CN1C=NC(=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations