Geometry & MOs

Info

ID:	228577
PubChem CID:	87565335
Reduced:	NOS2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	398.215197
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	3.29
IP(EA), eV:	-8.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-hydroxybutoxy)butoxy]butan-1-ol;2-hydroxy-3-methoxybutanedioic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CSC=C2

DOS

IR

Vibrations