Geometry & MOs

Info

ID:	148401
PubChem CID:	53788063
Reduced:	ON2S2C15H24 (1)
Stoich.:	AB2C2D15E24 (1)
Weight, g/mol:	448.188589
ΔH_f, kcal/mol:	-62.85
Dipole, Da:	1.7
IP(EA), eV:	-8.53(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,7-dimethylocta-2,6-dienoxy)-8-methoxy-2-oxochromen-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)(C)SCCC(=O)NCCC1=C(C(=CC=C1)S)N

DOS

IR

Vibrations