Geometry & MOs

Info

ID:	376535
PubChem CID:	134222553
Reduced:	SO7C10H16 (1)
Stoich.:	AB7C10D16 (1)
Weight, g/mol:	306.077324
ΔH_f, kcal/mol:	-316.19
Dipole, Da:	3.46
IP(EA), eV:	-11.03(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-formyloxy-4-sulfo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC(=O)C1CCCC(C1C(=O)OC)S(=O)(=O)O

DOS

IR

Vibrations