Geometry & MOs

Info

ID:	228767
PubChem CID:	87565714
Reduced:	FSN3O4C27H32 (1)
Stoich.:	ABC3D4E27F32 (1)
Weight, g/mol:	238.141638
ΔH_f, kcal/mol:	-129.6
Dipole, Da:	4.26
IP(EA), eV:	-8.8(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)CCN1C=CC(=N1)/C=C/2\CN(CC[C@@H]2SC(=O)C)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations