Geometry & MOs

Info

ID:	222675
PubChem CID:	85314955
Reduced:	ClN2O3C28H33 (1)
Stoich.:	AB2C3D28E33 (1)
Weight, g/mol:	531.341142
ΔH_f, kcal/mol:	-128.38
Dipole, Da:	6.27
IP(EA), eV:	-8.83(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4-oxobutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC1=CC=C(C=C1)CC(C[NH3+])NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24.[Cl-]

DOS

IR

Vibrations