Geometry & MOs

Info

ID:	383216
PubChem CID:	134974808
Reduced:	SN4O11C39H48 (1)
Stoich.:	AB4C11D39E48 (1)
Weight, g/mol:	378.183109
ΔH_f, kcal/mol:	-436.3
Dipole, Da:	3.69
IP(EA), eV:	-8.72(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-8-benzoyloxy-3,7-dimethylocta-2,6-dienyl] benzoate

Drug info:

PubChemData

Smile

C[C@H]1C(O[C@@H](C(C1OC(=O)C)OC(=O)C)SCC2=CN(N=N2)C[C@H](CC(=O)OC(C)(C)C)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)COC(=O)C

DOS

IR

Vibrations