Geometry & MOs

Info

ID:	216987
PubChem CID:	85087078
Reduced:	BO5C17H26 (1)
Stoich.:	AB5C17D26 (1)
Weight, g/mol:	322.033408
ΔH_f, kcal/mol:	-197.88
Dipole, Da:	2.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764026
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,2-dimethyl-5-(trifluoromethylsulfonyloxymethyl)-1,3-dioxolane-4-carboxylate

Drug info:

PubChemData

Smile

[B](OC)OCCC=CC(C)C(C1=C(C=CC(=C1)OC)OC)OC

DOS

IR

Vibrations