Geometry & MOs

Info

ID:	376528
PubChem CID:	134222546
Reduced:	S2O10C13H20 (1)
Stoich.:	A2B10C13D20 (1)
Weight, g/mol:	468.112389
ΔH_f, kcal/mol:	-442.82
Dipole, Da:	6.17
IP(EA), eV:	-11.1(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-formyloxy-4,13-disulfodispiro[5.2.59.26]hexadecane-3-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CC2CC(CC(C2C(C1)S(=O)(=O)O)S(=O)(=O)O)OC=O

DOS

IR

Vibrations