Geometry & MOs

Info

ID:	320720
PubChem CID:	126663095
Reduced:	N3O3C31H41 (1)
Stoich.:	A3B3C31D41 (1)
Weight, g/mol:	224.087101
ΔH_f, kcal/mol:	-76.03
Dipole, Da:	3.17
IP(EA), eV:	-8.1(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-3-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylhexa-2,4-diene

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=CC(=C1)CN2CN(C3(C2=C)CCN(CC3)C(=C)OC(C)(C)C)C4=CC=CC=C4

DOS

IR

Vibrations