Geometry & MOs

Info

ID:	183045
PubChem CID:	76971083
Reduced:	NaSO5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	348.103145
ΔH_f, kcal/mol:	-201.52
Dipole, Da:	8.03
IP(EA), eV:	-9.57(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

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.[Na+]

DOS

IR

Vibrations