Geometry & MOs

Info

ID:	405662
PubChem CID:	135074875
Reduced:	BrNSiO4C24H36 (1)
Stoich.:	ABCD4E24F36 (1)
Weight, g/mol:	408.11202
ΔH_f, kcal/mol:	-158.89
Dipole, Da:	2.43
IP(EA), eV:	-9.48(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4S,5S)-6-bromo-2,2-dimethyl-1,3-dioxaspiro[4.5]dec-6-en-4-yl]hepta-1,6-diynyl-trimethylsilane

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@]2(O1)CCCC=C2Br)C#CCN(CC#C[Si](C)(C)C)C(=O)OC(C)(C)C)C

DOS

IR

Vibrations