Geometry & MOs

Info

ID:	395058
PubChem CID:	135024531
Reduced:	BrO2H5C8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	504.269586
ΔH_f, kcal/mol:	-76.93
Dipole, Da:	2.65
IP(EA), eV:	-9.59(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4S)-7-[3-[tert-butyl(diphenyl)silyl]oxypropyl]-2-oxo-4-tricyclo[4.3.1.03,7]decanyl] acetate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1C(=O)C(=O)C3=C2C=C(C=C3OC)Br)Br

DOS

IR

Vibrations