Geometry & MOs

Info

ID:	228935
PubChem CID:	87566278
Reduced:	FSO3N5C23H28 (1)
Stoich.:	ABC3D5E23F28 (1)
Weight, g/mol:	356.168247
ΔH_f, kcal/mol:	-39.63
Dipole, Da:	6.32
IP(EA), eV:	-9.14(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butoxy-3-hydroxybutanedioic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2F)N3CCC(/C(=C\C4=CN=NN4CCCC(=O)NO)/C3)S

DOS

IR

Vibrations