Geometry & MOs

Info

ID:	228660
PubChem CID:	87565496
Reduced:	SN3F6O6H13C20 (1)
Stoich.:	AB3C6D6E13F20 (1)
Weight, g/mol:	266.172939
ΔH_f, kcal/mol:	-445.5
Dipole, Da:	9.5
IP(EA), eV:	-10.38(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxyacetic acid;2-(2-hydroxypropoxy)propan-1-ol

Drug info:

PubChemData

Smile

C1C(C12C(=O)N(C(=O)N2CC3=CC=NC=C3)C4=CC=C(C=C4)S(=O)(=O)C(F)(F)F)OC(=O)C(F)(F)F

DOS

IR

Vibrations