Geometry & MOs

Info

ID:	382268
PubChem CID:	134973322
Reduced:	NSiC19H21 (1)
Stoich.:	ABC19D21 (1)
Weight, g/mol:	691.89931
ΔH_f, kcal/mol:	76.32
Dipole, Da:	2.9
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2E,3S)-2-[bromo-[(1S,2R,3R,4R)-2,3,8-tribromo-2,3-dimethyl-6-oxo-7-[(2R)-pentan-2-yl]-5-oxaspiro[3.4]oct-7-en-1-yl]methylidene]-3-methylhexanoate

Drug info:

PubChemData

Smile

C[Si](C)(C)C#CC1=CC=CC=C1C=NCC2=CC=CC=C2

DOS

IR

Vibrations