Geometry & MOs

Info

ID:	50791
PubChem CID:	12013379
Reduced:	NSO3C14H32 (1)
Stoich.:	ABC3D14E32 (1)
Weight, g/mol:	335.98447
ΔH_f, kcal/mol:	-146.57
Dipole, Da:	4.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750906
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R,4'R,5S,5'R,6R)-1-bromo-4,4',5'-trimethoxyspiro[3-oxabicyclo[3.1.0]hexane-6,3'-oxolane]-2,2'-dione

Drug info:

PubChemData

Smile

CCCCCCCC[N+](C)(C)CCCCS(=O)(=O)O

DOS

IR

Vibrations