Geometry & MOs

Info

ID:	229066
PubChem CID:	87566869
Reduced:	FSO3N5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	208.131074
ΔH_f, kcal/mol:	-52.97
Dipole, Da:	7.38
IP(EA), eV:	-9.27(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butane-1,4-diol;2-propoxyacetic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C(=NN=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations