Geometry & MOs

Info

ID:	337794
PubChem CID:	127258417
Reduced:	O5C16H26 (1)
Stoich.:	A5B16C26 (1)
Weight, g/mol:	266.064651
ΔH_f, kcal/mol:	-267.81
Dipole, Da:	5.88
IP(EA), eV:	-10.72(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,3S)-2,3-bis(sulfanyl)hexoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CCC[C@H]([C@@H]2O)OC(=O)CCC(=O)O

DOS

IR

Vibrations