Geometry & MOs

Info

ID:	337773
PubChem CID:	127258396
Reduced:	O3C4H7 (2)
Stoich.:	A3B4C7 (2)
Weight, g/mol:	252.049001
ΔH_f, kcal/mol:	-286.18
Dipole, Da:	4.05
IP(EA), eV:	-10.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-methyl-2,3-bis(sulfanyl)butoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C[C@H]([C@@H](COC(=O)CCC(=O)O)O)O

DOS

IR

Vibrations