Geometry & MOs

Info

ID:	191460
PubChem CID:	78148269
Reduced:	NO4C33H33 (1)
Stoich.:	AB4C33D33 (1)
Weight, g/mol:	372.196815
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	2.64
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-2-propan-2-yloxy-2H-pyran-4-yl]methyl acetate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2(C3=CC=CC=C3N(C2=O)C(=O)OC(C)(C)C)C4CC(=CC5=CC=CC=C5)C(=O)C4

DOS

IR

Vibrations