Geometry & MOs

Info

ID:	337828
PubChem CID:	127258451
Reduced:	S2O3C9H14 (1)
Stoich.:	A2B3C9D14 (1)
Weight, g/mol:	306.059566
ΔH_f, kcal/mol:	-110.32
Dipole, Da:	4.25
IP(EA), eV:	-8.54(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-carboxypropan-2-yl)-1,3-dithiolane-2-carbonyl]butanoic acid

Drug info:

PubChemData

Smile

CCCC(=O)OC/C=C\1/SCCS1=O

DOS

IR

Vibrations