Geometry & MOs

Info

ID:	387390
PubChem CID:	134985205
Reduced:	SN3O7C20H21 (1)
Stoich.:	AB3C7D20E21 (1)
Weight, g/mol:	272.225249
ΔH_f, kcal/mol:	-163.14
Dipole, Da:	1.45
IP(EA), eV:	-9.36(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantyl(1-bicyclo[2.2.2]octanyl)diazene

Drug info:

PubChemData

Smile

C1[C@@H]2[C@H]([C@@H]([C@@H]([C@H](O2)N=[N+]=[N-])S(=O)(=O)O)OCC3=CC=CC=C3)O[C@@H](O1)C4=CC=CC=C4

DOS

IR

Vibrations