Geometry & MOs

Info

ID:	312289
PubChem CID:	126604143
Reduced:	N2O3H19C24 (2)
Stoich.:	A2B3C19D24 (2)
Weight, g/mol:	366.05143
ΔH_f, kcal/mol:	-2.67
Dipole, Da:	16.72
IP(EA), eV:	-8.81(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2E,3Z,5Z)-2-ethylidenehepta-3,5-dienoxy]pentan-3-yl thiohypoiodite

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N(CC2=CC=CC=C2)CC3=CC(=CC=C3)COC4=C(C=CC(=C4)N(C5=CC=CC=C5)C6=CC=CC=C6)/C=C(\C#N)/C(=O)O)/C=C(\C#N)/C(=O)O

DOS

IR

Vibrations