Geometry & MOs

Info

ID:	222683
PubChem CID:	85318747
Reduced:	NCl3O7C13H16 (1)
Stoich.:	AB3C7D13E16 (1)
Weight, g/mol:	404.277813
ΔH_f, kcal/mol:	-342.43
Dipole, Da:	5.11
IP(EA), eV:	-10.52(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentane-1,2-diol

Drug info:

PubChemData

Smile

CC(=O)OC1CC(C(C1OC(=O)C)OC(=O)C)NC(=O)C(Cl)(Cl)Cl

DOS

IR

Vibrations