Geometry & MOs

Info

ID:	221927
PubChem CID:	85292811
Reduced:	ClNO3H20C23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	394.196421
ΔH_f, kcal/mol:	-81.27
Dipole, Da:	4.62
IP(EA), eV:	-8.94(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-prop-2-enyloxolan-2-one

Drug info:

PubChemData

Smile

COC(=O)CC1C(CC(=O)N1C2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations