Geometry & MOs

Info

ID:	401686
PubChem CID:	135052138
Reduced:	BrOPH19C21 (1)
Stoich.:	ABCD19E21 (1)
Weight, g/mol:	363.10665
ΔH_f, kcal/mol:	27.03
Dipole, Da:	11.37
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756161
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R,5R)-3,4-diacetyloxy-5-azidooxolan-3-yl]methyl benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[P+](/C=C(/CBr)\O)(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations