Geometry & MOs

Info

ID:	127630
PubChem CID:	51009200
Reduced:	NSO3H21C22 (1)
Stoich.:	ABC3D21E22 (1)
Weight, g/mol:	374.07428
ΔH_f, kcal/mol:	-33.01
Dipole, Da:	6.3
IP(EA), eV:	-8.62(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1R,4R)-3-iodo-2-bicyclo[2.2.1]hepta-2,5-dienyl]butoxy]oxane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3[C@@H]4C[C@@H](C3=C(C5=C2CC=CC5)O)C=C4

DOS

IR

Vibrations