Geometry & MOs

Info

ID:	48627
PubChem CID:	11110135
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	16.61
Dipole, Da:	4.01
IP(EA), eV:	-8.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E,6E,8E)-9-(4-diazo-2,6,6-trimethyl-3-oxocyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenal

Drug info:

PubChemData

Smile

C1CNC(=C2C1=C3C=CC=CC3=N2)CS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations