Geometry & MOs

Info

ID:	376527
PubChem CID:	134222545
Reduced:	SO7C12H18 (1)
Stoich.:	AB7C12D18 (1)
Weight, g/mol:	400.049789
ΔH_f, kcal/mol:	-323.57
Dipole, Da:	4.09
IP(EA), eV:	-11.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-formyloxy-6-methoxycarbonyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,8-disulfonic acid

Drug info:

PubChemData

Smile

C1CC(CC2C1CC(C(C2)C(=O)O)S(=O)(=O)O)OC=O

DOS

IR

Vibrations