Geometry & MOs

Info

ID:	446427
PubChem CID:	135274889
Reduced:	N3O10C16H23 (1)
Stoich.:	A3B10C16D23 (1)
Weight, g/mol:	192.097272
ΔH_f, kcal/mol:	-386.9
Dipole, Da:	3.98
IP(EA), eV:	-9.89(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4E,6Z)-4-ethenyl-5-ethenylsulfanylocta-2,4,6-triene

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C([C@H](O1)OCCN=[N+]=[N-])OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations