Geometry & MOs

Info

ID:	220623
PubChem CID:	85198077
Reduced:	BrNO4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	342.116212
ΔH_f, kcal/mol:	-148.93
Dipole, Da:	4.25
IP(EA), eV:	-8.92(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4,5-trihydroxy-6-(1,2,4,5,6-pentahydroxyhexan-3-yloxy)oxane-2-carbaldehyde

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(CCBr)N2C(=O)COC2=O

DOS

IR

Vibrations