Geometry & MOs

Info

ID:	146704
PubChem CID:	53732109
Reduced:	SN2O6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	266.082409
ΔH_f, kcal/mol:	-196.57
Dipole, Da:	5.52
IP(EA), eV:	-9.59(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroperoxybut-3-enylsulfanylmethyl)-5-methoxyoxolane-3,4-diol

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2[C@@H](CC1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations