Geometry & MOs

Info

ID:

88672

PubChem CID:

49956045

Reduced:

ClSN2O4H22C27 (1)

Stoich.:

ABC2D4E22F27 (1)

Weight, g/mol:

253.99473

ΔHf, kcal/mol:

-42.0

Dipole, Da:

3.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.280303

Charge, e:

 -1

Chem-info

IUPAC name:

3-bromo-1-oxa-8-azaspiro[4.5]decane;chloride

Drug info:

PubChemData

Smile

C1C(CC(=O)C2=C1NC3=CC=CC=C3N(C2C4=CC=CO4)C(=O)CC5=CC=CS5)C6=CC=CO6.[Cl-]

DOS

IR

Vibrations