Geometry & MOs

Info

ID:	409022
PubChem CID:	135081796
Reduced:	NOPSC18H26 (1)
Stoich.:	ABCDE18F26 (1)
Weight, g/mol:	793.6193
ΔH_f, kcal/mol:	-50.72
Dipole, Da:	16.58
IP(EA), eV:	-8.08(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,7R)-1,11,12,12,13,13-hexabromo-2,10-dibutyl-4,6,8-trioxadispiro[4.1.47.25]trideca-1,10-diene-3,9-dione

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH3+].CC(C)(C)P(=S)(C1=CC=CC=C1)[O-]

DOS

IR

Vibrations