Geometry & MOs

Info

ID:	411634
PubChem CID:	135084466
Reduced:	Br3H5C8 (1)
Stoich.:	A3B5C8 (1)
Weight, g/mol:	230.115424
ΔH_f, kcal/mol:	44.91
Dipole, Da:	1.94
IP(EA), eV:	-9.78(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5R)-4-[[(2R,3R)-3-[[(2R,3R)-3-methyloxiran-2-yl]methyl]oxiran-2-yl]methyl]-1,3-dioxan-5-ol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=CBr)Br)Br

DOS

IR

Vibrations