Geometry & MOs

Info

ID:	376530
PubChem CID:	134222548
Reduced:	S2O10C15H24 (1)
Stoich.:	A2B10C15D24 (1)
Weight, g/mol:	414.065439
ΔH_f, kcal/mol:	-456.85
Dipole, Da:	5.89
IP(EA), eV:	-11.23(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-formyloxy-5-sulfocyclohexyl)-4-sulfocyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(C(CC1CC2CCC(C(C2)S(=O)(=O)O)OC=O)S(=O)(=O)O)C(=O)O

DOS

IR

Vibrations