Geometry & MOs

Info

ID:	183044
PubChem CID:	76971082
Reduced:	SO5C18H20 (1)
Stoich.:	AB5C18D20 (1)
Weight, g/mol:	370.085089
ΔH_f, kcal/mol:	-160.48
Dipole, Da:	8.47
IP(EA), eV:	-9.66(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;[(1R,3E,4R)-3-[(4-formylphenyl)methylidene]-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate

Drug info:

PubChemData

Smile

CC1([C@@H]\2CC[C@]1(C(=O)/C2=C/C3=CC=C(C=C3)C=O)CS(=O)(=O)O)C

DOS

IR

Vibrations