Geometry & MOs

Info

ID:	394208
PubChem CID:	135022534
Reduced:	NSiO3C16H30 (1)
Stoich.:	ABC3D16E30 (1)
Weight, g/mol:	434.168916
ΔH_f, kcal/mol:	-175.35
Dipole, Da:	0.71
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.795094
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[[(6R,8aS)-8-(2,2-dimethylpropanoyloxy)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]oxy]-2-diazonioethenolate

Drug info:

PubChemData

Smile

CCCC=CO[Si](C(C)C)(C(C)C)OCC1=COC=[N+]1C

DOS

IR

Vibrations