Geometry & MOs

Info

ID:	385609
PubChem CID:	134979537
Reduced:	BrSi2O3C35H53 (1)
Stoich.:	AB2C3D35E53 (1)
Weight, g/mol:	432.04267
ΔH_f, kcal/mol:	-213.69
Dipole, Da:	2.01
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,6S)-1-(4-chlorophenyl)selanyl-6-methyl-3-trimethylsilyloxycyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@]([C@@](C=C1CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)(C)CCCO[Si](C)(C)C(C)(C)C)(C=O)Br

DOS

IR

Vibrations