Geometry & MOs

Info

ID:	48661
PubChem CID:	11110319
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	330.161098
ΔH_f, kcal/mol:	9.81
Dipole, Da:	3.27
IP(EA), eV:	-9.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-diazonio-1,6-dimethoxy-3-oxohex-1-en-1-olate

Drug info:

PubChemData

Smile

CC1(/C(=C\C#N)/OC(C(O1)(CC#N)SC2=NC=CC=N2)(C)C)C

DOS

IR

Vibrations