Geometry & MOs

Info

ID:	381208
PubChem CID:	134971866
Reduced:	SC2H2O7 (1)
Stoich.:	AB2C2D7 (1)
Weight, g/mol:	374.172939
ΔH_f, kcal/mol:	-181.02
Dipole, Da:	2.21
IP(EA), eV:	-11.5(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R)-4-benzoyloxy-3,5,5-trimethylspiro[1,3,3a,4,6,6a-hexahydropentalene-2,2'-1,3-dioxolane]-1-carboxylic acid

Drug info:

PubChemData

Smile

C(=O)C([O-])OOS(=O)(=O)[O-]

DOS

IR

Vibrations