Geometry & MOs

Info

ID:	309474
PubChem CID:	126546491
Reduced:	SN2O2H22C24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	250.102751
ΔH_f, kcal/mol:	0.23
Dipole, Da:	4.62
IP(EA), eV:	-8.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]sulfonylhepta-1,3,5-triene

Drug info:

PubChemData

Smile

C1CNC2=C1C=C(C=C2)C3COC4=C(O3)C=C(C=C4)C5CNC6=CC=CC=C6S5

DOS

IR

Vibrations