Geometry & MOs

Info

ID:	229436
PubChem CID:	87567647
Reduced:	FSN3O3C25H30 (1)
Stoich.:	ABC3D3E25F30 (1)
Weight, g/mol:	224.089603
ΔH_f, kcal/mol:	-88.78
Dipole, Da:	4.71
IP(EA), eV:	-9.01(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=NN(C=C4)CCCCC(=O)O)/C3)S

DOS

IR

Vibrations