Geometry & MOs

Info

ID:	385763
PubChem CID:	134979929
Reduced:	ClSeO2H19C20 (1)
Stoich.:	ABC2D19E20 (1)
Weight, g/mol:	342.186251
ΔH_f, kcal/mol:	-32.74
Dipole, Da:	2.9
IP(EA), eV:	-8.4(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O'-tert-butyl 1-O-methyl (1R,6S)-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)[C@]1(CC=CC[C@@H]1C2=CC=CC=C2)[Se]C3=CC=C(C=C3)Cl

DOS

IR

Vibrations