Geometry & MOs

Info

ID:	402984
PubChem CID:	135058154
Reduced:	BrSN4O5C19H23 (1)
Stoich.:	ABC4D5E19F23 (1)
Weight, g/mol:	465.99661
ΔH_f, kcal/mol:	-114.35
Dipole, Da:	9.48
IP(EA), eV:	-8.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,8S)-3,8-bis(bromomethyl)-3,8-diphenyl-2,7-dioxaspiro[4.4]nonane

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[C@@H]([C@@H](C(=O)N2C3CC4CCC3(C4)CS2(=O)=O)Br)N=[N+]=[N-])OC

DOS

IR

Vibrations