Geometry & MOs

Info

ID:	312583
PubChem CID:	126606561
Reduced:	ClSN3O3C11H20 (1)
Stoich.:	ABC3D3E11F20 (1)
Weight, g/mol:	310.156895
ΔH_f, kcal/mol:	-105.67
Dipole, Da:	1.58
IP(EA), eV:	-9.05(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-(2,6-diethylphenyl)-3-(5-hydroxy-2-methoxyphenyl)prop-2-enal

Drug info:

PubChemData

Smile

CCNC[C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)SC(=N2)N(CC)Cl)O)O

DOS

IR

Vibrations