Geometry & MOs

Info

ID:	436973
PubChem CID:	135213416
Reduced:	N2S3C8H12 (1)
Stoich.:	A2B3C8D12 (1)
Weight, g/mol:	412.318875
ΔH_f, kcal/mol:	25.02
Dipole, Da:	3.13
IP(EA), eV:	-8.93(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-pentoxypropoxy)propoxy]propyl deca-4,8-dienoate

Drug info:

PubChemData

Smile

CC(C1=NC2=C(S1)CNCC2)SS

DOS

IR

Vibrations