Geometry & MOs

Info

ID:	219941
PubChem CID:	85165069
Reduced:	BrNSO8C28H30 (1)
Stoich.:	ABCD8E28F30 (1)
Weight, g/mol:	620.19525
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	7.31
IP(EA), eV:	-8.58(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4,5,6-triacetyloxy-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OCCSC2=CC(=CC=C2)Br)[N+](=O)[O-])C3CCC(O3)C4=CC(=C(C(=C4)OC)OC)OC

DOS

IR

Vibrations