Geometry & MOs

Info

ID:	406877
PubChem CID:	135078821
Reduced:	BrSiN2O3C29H34 (1)
Stoich.:	ABC2D3E29F34 (1)
Weight, g/mol:	488.09922
ΔH_f, kcal/mol:	-63.82
Dipole, Da:	6.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766879
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[tert-butyl(dimethyl)silyl]oxy-2-diazonio-3-(2-iodophenyl)-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-olate

Drug info:

PubChemData

Smile

CC(C)(C)O/C(=C(/C(C1=CC=CC=C1Br)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)\[N+]#N)/O

DOS

IR

Vibrations