Geometry & MOs

Info

ID:	221715
PubChem CID:	85286069
Reduced:	NI2O6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	610.03307
ΔH_f, kcal/mol:	-102.2
Dipole, Da:	4.93
IP(EA), eV:	-8.66(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-bromophenyl)methyl]-5-[(4-methylphenyl)sulfonyloxymethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C2C=NOC2(C3=CC(=C(C=C3I)OC)OC)O)I)OC

DOS

IR

Vibrations